3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C15H20N4O — CID 134796654

IUPAC3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)(C)c1nnc2ccc(C(=O)NCC3CC3)cn12
InChIInChI=1S/C15H20N4O/c1-15(2,3)14-18-17-12-7-6-11(9-19(12)14)13(20)16-8-10-4-5-10/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)
InChIKeyJUTFWHZRXRNIMS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.17
Rot. Bonds3

About 3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134796654) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134796654
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)(C)c1nnc2ccc(C(=O)NCC3CC3)cn12
InChIInChI=1S/C15H20N4O/c1-15(2,3)14-18-17-12-7-6-11(9-19(12)14)13(20)16-8-10-4-5-10/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)
InChIKeyJUTFWHZRXRNIMS-UHFFFAOYSA-N
XLogP2.17
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131657541
N-[(2-hydroxycyclopentyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111471083
N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131660737
3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448785
N-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800339
N-(cyclopropylmethyl)-4-(ethylamino)benzamide
CID 62173113
3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800490
N-(3-aminopropyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 84614345
3-(1-benzylpyrrolidin-3-yl)-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131655580
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503
2-(aminomethyl)-N-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 155191130
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 126803241

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134796654) is 3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)(C)c1nnc2ccc(C(=O)NCC3CC3)cn12.
What is the InChIKey of 3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is JUTFWHZRXRNIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)14-18-17-12-7-6-11(9-19(12)14)13(20)16-8-10-4-5-10/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20).
What are the key properties of 3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134796654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).