1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine

C12H14N4 — CID 106222435

IUPAC1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine
SMILESC#CCCCNc1nccc2c1ncn2C
InChIInChI=1S/C12H14N4/c1-3-4-5-7-13-12-11-10(6-8-14-12)16(2)9-15-11/h1,6,8-9H,4-5,7H2,2H3,(H,13,14)
InChIKeyJQWNXUIMMJLSSQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.79
Rot. Bonds4

About 1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine

1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine (PubChem CID 106222435) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine
PubChem CID106222435
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine
SMILESC#CCCCNc1nccc2c1ncn2C
InChIInChI=1S/C12H14N4/c1-3-4-5-7-13-12-11-10(6-8-14-12)16(2)9-15-11/h1,6,8-9H,4-5,7H2,2H3,(H,13,14)
InChIKeyJQWNXUIMMJLSSQ-UHFFFAOYSA-N
XLogP1.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103385664
1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine
CID 103385824
1-methyl-N-(2-methylbutan-2-yl)imidazo[4,5-c]pyridin-4-amine
CID 103385802
N-benzyl-1-methylimidazo[4,5-c]pyridin-4-amine
CID 1400630
N-(2-cyclopentyloxyethyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385619
1-methyl-N-(2-methylbutyl)imidazo[4,5-c]pyridin-4-amine
CID 103385588
N-(cyclopentylmethyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385392
3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine
CID 103386011
1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine
CID 114169666
1-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-c]pyridin-4-amine
CID 106418805
4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid
CID 103385090
1-methyl-N-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]pyridin-4-amine
CID 103385628

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine (CID 106222435) is 1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine is C#CCCCNc1nccc2c1ncn2C.
What is the InChIKey of 1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is JQWNXUIMMJLSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-3-4-5-7-13-12-11-10(6-8-14-12)16(2)9-15-11/h1,6,8-9H,4-5,7H2,2H3,(H,13,14).
What are the key properties of 1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine?
1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 214.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 106222435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).