N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H23N5O — CID 32917838

IUPACN,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)C3CCC(C)CC3)nc2n1
InChIInChI=1S/C16H23N5O/c1-10-5-7-13(8-6-10)20(4)15(22)14-18-16-17-11(2)9-12(3)21(16)19-14/h9-10,13H,5-8H2,1-4H3
InChIKeyYQHLAZUNCXOMAN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.39
Rot. Bonds2

About N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 32917838) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID32917838
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)C3CCC(C)CC3)nc2n1
InChIInChI=1S/C16H23N5O/c1-10-5-7-13(8-6-10)20(4)15(22)14-18-16-17-11(2)9-12(3)21(16)19-14/h9-10,13H,5-8H2,1-4H3
InChIKeyYQHLAZUNCXOMAN-UHFFFAOYSA-N
XLogP2.39
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 126917285
N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide
CID 47393944
N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 94171321
N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47163756
N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 134015230
[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 25482455
1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120540059
N-ethyl-5,7-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 94174774
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190284
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 25162205
3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-ethylamino]propanoic acid
CID 61007778

Frequently Asked Questions

What is the IUPAC name of N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 32917838) is N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N(C)C3CCC(C)CC3)nc2n1.
What is the InChIKey of N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YQHLAZUNCXOMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10-5-7-13(8-6-10)20(4)15(22)14-18-16-17-11(2)9-12(3)21(16)19-14/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 32917838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).