(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride

C14H20Cl2N8 — CID 23616709

IUPAC(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride
SMILESCC(C)/N=C(N)/N=C(\N)Nc1ccc(Cl)cc1.Cl.c1cnnnc1
InChIInChI=1S/C11H16ClN5.C3H3N3.ClH/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9;1-2-4-6-5-3-1;/h3-7H,1-2H3,(H5,13,14,15,16,17);1-3H;1H
InChIKeyAGVJUQBOCCVSID-UHFFFAOYSA-N
MW371.28 g/mol
LogP2.08
Rot. Bonds2

About (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride

(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride (PubChem CID 23616709) has the molecular formula C14H20Cl2N8 and a molecular weight of 371.28 g/mol. Its IUPAC name is (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride.

Molecular Properties

Compound Name(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride
PubChem CID23616709
Molecular FormulaC14H20Cl2N8
Molecular Weight371.28 g/mol
Exact Mass370.12
IUPAC Name(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride
SMILESCC(C)/N=C(N)/N=C(\N)Nc1ccc(Cl)cc1.Cl.c1cnnnc1
InChIInChI=1S/C11H16ClN5.C3H3N3.ClH/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9;1-2-4-6-5-3-1;/h3-7H,1-2H3,(H5,13,14,15,16,17);1-3H;1H
InChIKeyAGVJUQBOCCVSID-UHFFFAOYSA-N
XLogP2.08
TPSA127.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[amino-(4-chloro-2,3,5,6-tetradeuterioanilino)methylidene]-2-propan-2-ylguanidine;hydrochloride
CID 57347456
2-[2-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]ethyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
CID 70500438
1-[amino-[4-(dimethylsulfamoyl)anilino]methylidene]-2-propan-2-ylguanidine
CID 54421645
(1E)-1-[amino-(3-chloro-4-ethylsulfanylanilino)methylidene]-2-propan-2-ylguanidine
CID 134119147
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine dichloride
CID 85066607
1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride
CID 162321275
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-(2-phenylethyl)guanidine
CID 134125827
1-(4-chlorophenyl)-2-methylguanidine
CID 20543496
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-benzylguanidine
CID 24835744
N-[4-[[N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]phenyl]acetamide
CID 54149924
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-hexylguanidine;hydrochloride
CID 45260161
1-[amino-[3-(4-chlorophenoxy)propoxyamino]methylidene]-2-propan-2-ylguanidine
CID 74053002

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride?
The IUPAC name of (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride (CID 23616709) is (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride.
What is the SMILES notation for (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride?
The canonical SMILES for (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride is CC(C)/N=C(N)/N=C(\N)Nc1ccc(Cl)cc1.Cl.c1cnnnc1.
What is the InChIKey of (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride?
The InChIKey is AGVJUQBOCCVSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5.C3H3N3.ClH/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9;1-2-4-6-5-3-1;/h3-7H,1-2H3,(H5,13,14,15,16,17);1-3H;1H.
What are the key properties of (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride?
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride has a molecular weight of 371.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride is sourced from PubChem (CID 23616709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).