N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H17N5O — CID 18150434

IUPACN-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NC3CCCCC3)nn12
InChIInChI=1S/C13H17N5O/c1-9-7-8-14-13-16-11(17-18(9)13)12(19)15-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,19)
InChIKeyNKWKDKINRSFMSE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.50
Rot. Bonds2

About N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 18150434) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID18150434
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NC3CCCCC3)nn12
InChIInChI=1S/C13H17N5O/c1-9-7-8-14-13-16-11(17-18(9)13)12(19)15-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,19)
InChIKeyNKWKDKINRSFMSE-UHFFFAOYSA-N
XLogP1.50
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 104956921
[1-(cyclohexylamino)-1-oxopropan-2-yl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 42901037
N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 119612281
N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17494544
N-[(S)-cyclohexyl(phenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 39594944
7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 55745305
7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 120557804
7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 119504074
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509
N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47090328
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 18157985
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 95320603

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 18150434) is N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NC3CCCCC3)nn12.
What is the InChIKey of N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NKWKDKINRSFMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-7-8-14-13-16-11(17-18(9)13)12(19)15-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,19).
What are the key properties of N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 18150434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).