2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine

C11H19N9 — CID 54460297

IUPAC2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine
SMILESCC(=NN=C(N)N)C1=CN(C(C)=NN=C(N)N)CC=C1
InChIInChI=1S/C11H19N9/c1-7(16-18-10(12)13)9-4-3-5-20(6-9)8(2)17-19-11(14)15/h3-4,6H,5H2,1-2H3,(H4,12,13,18)(H4,14,15,19)
InChIKeyXBDRWNDVDPGGFK-UHFFFAOYSA-N
MW277.34 g/mol
LogP-1.00
Rot. Bonds3

About 2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine

2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine (PubChem CID 54460297) has the molecular formula C11H19N9 and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine
PubChem CID54460297
Molecular FormulaC11H19N9
Molecular Weight277.34 g/mol
Exact Mass277.18
IUPAC Name2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine
SMILESCC(=NN=C(N)N)C1=CN(C(C)=NN=C(N)N)CC=C1
InChIInChI=1S/C11H19N9/c1-7(16-18-10(12)13)9-4-3-5-20(6-9)8(2)17-19-11(14)15/h3-4,6H,5H2,1-2H3,(H4,12,13,18)(H4,14,15,19)
InChIKeyXBDRWNDVDPGGFK-UHFFFAOYSA-N
XLogP-1.00
TPSA156.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,5,6-trimethyl-N-[(E)-(1,2,3-trimethyl-4-pyridinylidene)amino]pyridin-2-imine
CID 59873756
(Z)-1,5,6-trimethyl-N-[(Z)-(1,2,3-trimethyl-4-pyridinylidene)amino]pyridin-2-imine
CID 91491908
6-[(1Z)-buta-1,3-dienyl]-5-methyl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 132099128
2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-3-yl]ethylideneamino]guanidine
CID 140378814
1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane
CID 143424286
Ethane;5-ethyl-1-methanimidoylpyridin-2-imine
CID 145188459
1-But-1-en-2-yl-4-ethylpyridin-2-imine
CID 169252177
5-[(Z)-2-imino-4-methylhex-3-en-3-yl]-1-methanimidoylpyridin-2-imine
CID 169843481
1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine
CID 170271348
1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine
CID 176529065

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine (CID 54460297) is 2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine is CC(=NN=C(N)N)C1=CN(C(C)=NN=C(N)N)CC=C1.
What is the InChIKey of 2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine?
The InChIKey is XBDRWNDVDPGGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N9/c1-7(16-18-10(12)13)9-4-3-5-20(6-9)8(2)17-19-11(14)15/h3-4,6H,5H2,1-2H3,(H4,12,13,18)(H4,14,15,19).
What are the key properties of 2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine?
2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine has a molecular weight of 277.34 g/mol, XLogP of -1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine is sourced from PubChem (CID 54460297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).