6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile

C12H15N5 — CID 166906247

IUPAC6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile
SMILESC=C/C(N)=C(\C)N(N)c1cc(C)c(C#N)cn1
InChIInChI=1S/C12H15N5/c1-4-11(14)9(3)17(15)12-5-8(2)10(6-13)7-16-12/h4-5,7H,1,14-15H2,2-3H3/b11-9-
InChIKeyDANIYEHTQUEOEZ-LUAWRHEFSA-N
MW229.29 g/mol
LogP1.32
Rot. Bonds3

About 6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile

6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile (PubChem CID 166906247) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile
PubChem CID166906247
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile
SMILESC=C/C(N)=C(\C)N(N)c1cc(C)c(C#N)cn1
InChIInChI=1S/C12H15N5/c1-4-11(14)9(3)17(15)12-5-8(2)10(6-13)7-16-12/h4-5,7H,1,14-15H2,2-3H3/b11-9-
InChIKeyDANIYEHTQUEOEZ-LUAWRHEFSA-N
XLogP1.32
TPSA91.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-formyl-4-methylpyridine-3-carbonitrile
CID 131440294
5-ethenyl-4,6-dimethylpyridine-3-carbonitrile
CID 166951007
6-(2,2-dimethylbutyl)-4-methylpyridine-3-carbonitrile
CID 134170715
CID 175289623
CID 175289623
5-methylpyridazine-4-carbonitrile
CID 125041957
6-ethoxy-4-methylpyridine-3-carbonitrile
CID 84618208
4-methyl-6-(2-methyl-4H-imidazol-5-yl)pyridine-3-carbonitrile
CID 166906275
6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile
CID 134523949
6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile
CID 134523645
6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile
CID 166906107
4-[2-(1-aminoethenyl)-1-(5-amino-2-methyl-3-pyridinyl)-3-methylbut-2-enyl]-3-methylbenzonitrile
CID 156726151
N-acetyl-4-cyano-3-methylbenzohydrazide
CID 118599345

Frequently Asked Questions

What is the IUPAC name of 6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile (CID 166906247) is 6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile is C=C/C(N)=C(\C)N(N)c1cc(C)c(C#N)cn1.
What is the InChIKey of 6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile?
The InChIKey is DANIYEHTQUEOEZ-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H15N5/c1-4-11(14)9(3)17(15)12-5-8(2)10(6-13)7-16-12/h4-5,7H,1,14-15H2,2-3H3/b11-9-.
What are the key properties of 6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile?
6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile has a molecular weight of 229.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-[(2Z)-3-aminopenta-2,4-dien-2-yl]amino]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 166906247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).