N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H16N6O2 — CID 17494544

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)nn12
InChIInChI=1S/C17H16N6O2/c1-10-7-8-18-17-21-14(22-23(10)17)16(25)20-13-4-2-3-11(9-13)15(24)19-12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,19,24)(H,20,25)
InChIKeyRDCQWHMWMGRFAV-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.58
Rot. Bonds4

About N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 17494544) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID17494544
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)nn12
InChIInChI=1S/C17H16N6O2/c1-10-7-8-18-17-21-14(22-23(10)17)16(25)20-13-4-2-3-11(9-13)15(24)19-12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,19,24)(H,20,25)
InChIKeyRDCQWHMWMGRFAV-UHFFFAOYSA-N
XLogP1.58
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 27832237
7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 55745305
N'-(3-chlorobenzoyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 8913368
2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080814
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17417131
5,7-dimethyl-N-[3-(propylcarbamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46485618
N'-[3-(dimethylamino)benzoyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 26184803
7-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31508079
N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 71881118

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 17494544) is N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)nn12.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RDCQWHMWMGRFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-10-7-8-18-17-21-14(22-23(10)17)16(25)20-13-4-2-3-11(9-13)15(24)19-12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,19,24)(H,20,25).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 17494544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).