2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide

C12H14N4O — CID 42917710

IUPAC2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C12H14N4O/c1-8-6-9(8)12(17)13-7-11-15-14-10-4-2-3-5-16(10)11/h2-5,8-9H,6-7H2,1H3,(H,13,17)
InChIKeyPVIHZSREFQLUNF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.00
Rot. Bonds3

About 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide

2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 42917710) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID42917710
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C12H14N4O/c1-8-6-9(8)12(17)13-7-11-15-14-10-4-2-3-5-16(10)11/h2-5,8-9H,6-7H2,1H3,(H,13,17)
InChIKeyPVIHZSREFQLUNF-UHFFFAOYSA-N
XLogP1.00
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-oxo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
CID 46448936
cis-(1S,2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365838
2-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64823445
cis-(1S,2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94035247
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63714986
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 60717518
2-methyl-1-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 154754947
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119833084
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide
CID 78909463
2-amino-2-cyclopropyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 61273646
3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 94473556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide (CID 42917710) is 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide is CC1CC1C(=O)NCc1nnc2ccccn12.
What is the InChIKey of 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is PVIHZSREFQLUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-6-9(8)12(17)13-7-11-15-14-10-4-2-3-5-16(10)11/h2-5,8-9H,6-7H2,1H3,(H,13,17).
What are the key properties of 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 42917710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).