1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine

C118H193N85O9S2 — CID 157445495

IUPAC1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
SMILESC/N=C(/N=C(N)N)N(C)c1ccc[nH]1.C/N=C(/N=C(N)N)N(C)c1ccco1.C/N=C(/N=C(N)N)Nc1ccco1.C/N=C(\N)N=C(N)N(C)c1ccc[nH]1.C/N=C(\N)N=C(N)N(C)c1ccco1.C/N=C(\N)N=C(N)Nc1ccc[nH]1.C/N=C(\N)NC(N)=Nc1ccco1.CN(C)C(N)=NC(N)=Nc1ccc[nH]1.CN(C)C(N)=NC(N)=Nc1ccco1.NC(N)=NC(N)=Nc1ccco1.NC(N)=NC(N)=Nc1cccs1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccc[nH]1.[H]/N=C(\N)N(C)/C(=N\[H])N(C)c1ccco1.[H]/N=C(\N)N(C)C(N)=Nc1ccco1.[H]/N=C(\N=C(N)N)N(C)c1ccco1.[H]/N=C(\N=C(N)N)N(C)c1cccs1
InChIInChI=1S/4C8H14N6.4C8H13N5O.C7H12N6.4C7H11N5O.C7H11N5S.C6H9N5O.C6H9N5S/c1-14(2)8(10)13-7(9)12-6-4-3-5-11-6;1-11-7(9)13-8(10)14(2)6-4-3-5-12-6;1-13(6-4-3-5-12-6)8(11)14(2)7(9)10;1-11-8(13-7(9)10)14(2)6-4-3-5-12-6;1-13(2)8(10)12-7(9)11-6-4-3-5-14-6;1-11-7(9)12-8(10)13(2)6-4-3-5-14-6;1-12(6-4-3-5-14-6)8(11)13(2)7(9)10;1-11-8(12-7(9)10)13(2)6-4-3-5-14-6;1-10-6(8)13-7(9)12-5-3-2-4-11-5;1-10-6(8)12-7(9)11-5-3-2-4-13-5;1-12(5-3-2-4-13-5)7(10)11-6(8)9;1-12(6(8)9)7(10)11-5-3-2-4-13-5;1-10-7(12-6(8)9)11-5-3-2-4-13-5;1-12(5-3-2-4-13-5)7(10)11-6(8)9;2*7-5(8)11-6(9)10-4-2-1-3-12-4/h3-5,11H,1-2H3,(H4,9,10,12,13);3-5,12H,1-2H3,(H4,9,10,11,13);3-5,11-12H,1-2H3,(H3,9,10);3-5,12H,1-2H3,(H4,9,10,11,13);2*3-5H,1-2H3,(H4,9,10,11,12);3-5,11H,1-2H3,(H3,9,10);3-5H,1-2H3,(H4,9,10,11,12);2-4,11H,1H3,(H5,8,9,10,12,13);2-4H,1H3,(H5,8,9,10,11,12);2-4H,1H3,(H5,8,9,10,11);2-4H,1H3,(H3,8,9)(H2,10,11);2-4H,1H3,(H5,8,9,10,11,12);2-4H,1H3,(H5,8,9,10,11);2*1-3H,(H6,7,8,9,10,11)/b;;11-8-;;;;11-8-;;;;;;;;;
InChIKeyBSEBXXPHVRZDFO-QZZRDZDPSA-N
MW3010.56 g/mol
LogP-0.77
Rot. Bonds16

About 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine

1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine (PubChem CID 157445495) has the molecular formula C118H193N85O9S2 and a molecular weight of 3010.56 g/mol. Its IUPAC name is 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine.

Molecular Properties

Compound Name1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
PubChem CID157445495
Molecular FormulaC118H193N85O9S2
Molecular Weight3010.56 g/mol
Exact Mass3008.67
IUPAC Name1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
SMILESC/N=C(/N=C(N)N)N(C)c1ccc[nH]1.C/N=C(/N=C(N)N)N(C)c1ccco1.C/N=C(/N=C(N)N)Nc1ccco1.C/N=C(\N)N=C(N)N(C)c1ccc[nH]1.C/N=C(\N)N=C(N)N(C)c1ccco1.C/N=C(\N)N=C(N)Nc1ccc[nH]1.C/N=C(\N)NC(N)=Nc1ccco1.CN(C)C(N)=NC(N)=Nc1ccc[nH]1.CN(C)C(N)=NC(N)=Nc1ccco1.NC(N)=NC(N)=Nc1ccco1.NC(N)=NC(N)=Nc1cccs1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccc[nH]1.[H]/N=C(\N)N(C)/C(=N\[H])N(C)c1ccco1.[H]/N=C(\N)N(C)C(N)=Nc1ccco1.[H]/N=C(\N=C(N)N)N(C)c1ccco1.[H]/N=C(\N=C(N)N)N(C)c1cccs1
InChIInChI=1S/4C8H14N6.4C8H13N5O.C7H12N6.4C7H11N5O.C7H11N5S.C6H9N5O.C6H9N5S/c1-14(2)8(10)13-7(9)12-6-4-3-5-11-6;1-11-7(9)13-8(10)14(2)6-4-3-5-12-6;1-13(6-4-3-5-12-6)8(11)14(2)7(9)10;1-11-8(13-7(9)10)14(2)6-4-3-5-12-6;1-13(2)8(10)12-7(9)11-6-4-3-5-14-6;1-11-7(9)12-8(10)13(2)6-4-3-5-14-6;1-12(6-4-3-5-14-6)8(11)13(2)7(9)10;1-11-8(12-7(9)10)13(2)6-4-3-5-14-6;1-10-6(8)13-7(9)12-5-3-2-4-11-5;1-10-6(8)12-7(9)11-5-3-2-4-13-5;1-12(5-3-2-4-13-5)7(10)11-6(8)9;1-12(6(8)9)7(10)11-5-3-2-4-13-5;1-10-7(12-6(8)9)11-5-3-2-4-13-5;1-12(5-3-2-4-13-5)7(10)11-6(8)9;2*7-5(8)11-6(9)10-4-2-1-3-12-4/h3-5,11H,1-2H3,(H4,9,10,12,13);3-5,12H,1-2H3,(H4,9,10,11,13);3-5,11-12H,1-2H3,(H3,9,10);3-5,12H,1-2H3,(H4,9,10,11,13);2*3-5H,1-2H3,(H4,9,10,11,12);3-5,11H,1-2H3,(H3,9,10);3-5H,1-2H3,(H4,9,10,11,12);2-4,11H,1H3,(H5,8,9,10,12,13);2-4H,1H3,(H5,8,9,10,11,12);2-4H,1H3,(H5,8,9,10,11);2-4H,1H3,(H3,8,9)(H2,10,11);2-4H,1H3,(H5,8,9,10,11,12);2-4H,1H3,(H5,8,9,10,11);2*1-3H,(H6,7,8,9,10,11)/b;;11-8-;;;;11-8-;;;;;;;;;
InChIKeyBSEBXXPHVRZDFO-QZZRDZDPSA-N
XLogP-0.77
TPSA1584.01 Ų
H-Bond Donors47
H-Bond Acceptors31
Rotatable Bonds16
Heavy Atoms214
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003010.56
LogP ≤ 5-0.77
H-Bond Donors ≤ 547
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine?
The IUPAC name of 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine (CID 157445495) is 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine.
What is the SMILES notation for 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine?
The canonical SMILES for 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine is C/N=C(/N=C(N)N)N(C)c1ccc[nH]1.C/N=C(/N=C(N)N)N(C)c1ccco1.C/N=C(/N=C(N)N)Nc1ccco1.C/N=C(\N)N=C(N)N(C)c1ccc[nH]1.C/N=C(\N)N=C(N)N(C)c1ccco1.C/N=C(\N)N=C(N)Nc1ccc[nH]1.C/N=C(\N)NC(N)=Nc1ccco1.CN(C)C(N)=NC(N)=Nc1ccc[nH]1.CN(C)C(N)=NC(N)=Nc1ccco1.NC(N)=NC(N)=Nc1ccco1.NC(N)=NC(N)=Nc1cccs1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccc[nH]1.[H]/N=C(\N)N(C)/C(=N\[H])N(C)c1ccco1.[H]/N=C(\N)N(C)C(N)=Nc1ccco1.[H]/N=C(\N=C(N)N)N(C)c1ccco1.[H]/N=C(\N=C(N)N)N(C)c1cccs1.
What is the InChIKey of 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine?
The InChIKey is BSEBXXPHVRZDFO-QZZRDZDPSA-N. The full InChI is InChI=1S/4C8H14N6.4C8H13N5O.C7H12N6.4C7H11N5O.C7H11N5S.C6H9N5O.C6H9N5S/c1-14(2)8(10)13-7(9)12-6-4-3-5-11-6;1-11-7(9)13-8(10)14(2)6-4-3-5-12-6;1-13(6-4-3-5-12-6)8(11)14(2)7(9)10;1-11-8(13-7(9)10)14(2)6-4-3-5-12-6;1-13(2)8(10)12-7(9)11-6-4-3-5-14-6;1-11-7(9)12-8(10)13(2)6-4-3-5-14-6;1-12(6-4-3-5-14-6)8(11)13(2)7(9)10;1-11-8(12-7(9)10)13(2)6-4-3-5-14-6;1-10-6(8)13-7(9)12-5-3-2-4-11-5;1-10-6(8)12-7(9)11-5-3-2-4-13-5;1-12(5-3-2-4-13-5)7(10)11-6(8)9;1-12(6(8)9)7(10)11-5-3-2-4-13-5;1-10-7(12-6(8)9)11-5-3-2-4-13-5;1-12(5-3-2-4-13-5)7(10)11-6(8)9;2*7-5(8)11-6(9)10-4-2-1-3-12-4/h3-5,11H,1-2H3,(H4,9,10,12,13);3-5,12H,1-2H3,(H4,9,10,11,13);3-5,11-12H,1-2H3,(H3,9,10);3-5,12H,1-2H3,(H4,9,10,11,13);2*3-5H,1-2H3,(H4,9,10,11,12);3-5,11H,1-2H3,(H3,9,10);3-5H,1-2H3,(H4,9,10,11,12);2-4,11H,1H3,(H5,8,9,10,12,13);2-4H,1H3,(H5,8,9,10,11,12);2-4H,1H3,(H5,8,9,10,11);2-4H,1H3,(H3,8,9)(H2,10,11);2-4H,1H3,(H5,8,9,10,11,12);2-4H,1H3,(H5,8,9,10,11);2*1-3H,(H6,7,8,9,10,11)/b;;11-8-;;;;11-8-;;;;;;;;;.
What are the key properties of 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine?
1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine has a molecular weight of 3010.56 g/mol, XLogP of -0.77, 16 rotatable bonds, 47 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine is sourced from PubChem (CID 157445495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).