N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H20N6O — CID 119567628

IUPACN-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC3(CN)CCCC3)nc2n1
InChIInChI=1S/C14H20N6O/c1-9-7-10(2)20-13(16-9)17-11(19-20)12(21)18-14(8-15)5-3-4-6-14/h7H,3-6,8,15H2,1-2H3,(H,18,21)
InChIKeyGTYBXWUTHMWSOC-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.74
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 119567628) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID119567628
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC3(CN)CCCC3)nc2n1
InChIInChI=1S/C14H20N6O/c1-9-7-10(2)20-13(16-9)17-11(19-20)12(21)18-14(8-15)5-3-4-6-14/h7H,3-6,8,15H2,1-2H3,(H,18,21)
InChIKeyGTYBXWUTHMWSOC-UHFFFAOYSA-N
XLogP0.74
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 62516858
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 114751326
N-(3-aminopropyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119408047
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 7862875
N-(2-hydroxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43393604
3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62674249
N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 103772937
[2-(2-acetylhydrazinyl)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 9407930
1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120540059
N-(2-bromoprop-2-enyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47438895
N-(4-hydroxybutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 81042943

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 119567628) is N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NC3(CN)CCCC3)nc2n1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GTYBXWUTHMWSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9-7-10(2)20-13(16-9)17-11(19-20)12(21)18-14(8-15)5-3-4-6-14/h7H,3-6,8,15H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 119567628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).