N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H17N5O — CID 24870601

IUPACN-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1nc2ncccn2n1
InChIInChI=1S/C13H17N5O/c19-12(15-9-10-5-2-1-3-6-10)11-16-13-14-7-4-8-18(13)17-11/h4,7-8,10H,1-3,5-6,9H2,(H,15,19)
InChIKeyMNFSKLALLAPKBL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.43
Rot. Bonds3

About N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 24870601) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID24870601
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1nc2ncccn2n1
InChIInChI=1S/C13H17N5O/c19-12(15-9-10-5-2-1-3-6-10)11-16-13-14-7-4-8-18(13)17-11/h4,7-8,10H,1-3,5-6,9H2,(H,15,19)
InChIKeyMNFSKLALLAPKBL-UHFFFAOYSA-N
XLogP1.43
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315778
N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46958435
N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315733
N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 125155043
N-methyl-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46981642
N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 133113583
1-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94885492
N-[2-[4-(dimethylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46981638
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77080832
N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 133128415
N-(cyclohexylmethyl)isoquinoline-1-carboxamide
CID 1438626
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824615

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 24870601) is N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCC1CCCCC1)c1nc2ncccn2n1.
What is the InChIKey of N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MNFSKLALLAPKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-12(15-9-10-5-2-1-3-6-10)11-16-13-14-7-4-8-18(13)17-11/h4,7-8,10H,1-3,5-6,9H2,(H,15,19).
What are the key properties of N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 24870601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).