N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H15BrN6O — CID 119602769

IUPACN-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNCC1CCCC1NC(=O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C12H15BrN6O/c13-8-5-15-12-17-10(18-19(12)6-8)11(20)16-9-3-1-2-7(9)4-14/h5-7,9H,1-4,14H2,(H,16,20)
InChIKeyYHHYEVFFZPMBEA-UHFFFAOYSA-N
MW339.20 g/mol
LogP0.74
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 119602769) has the molecular formula C12H15BrN6O and a molecular weight of 339.20 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID119602769
Molecular FormulaC12H15BrN6O
Molecular Weight339.20 g/mol
Exact Mass338.05
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNCC1CCCC1NC(=O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C12H15BrN6O/c13-8-5-15-12-17-10(18-19(12)6-8)11(20)16-9-3-1-2-7(9)4-14/h5-7,9H,1-4,14H2,(H,16,20)
InChIKeyYHHYEVFFZPMBEA-UHFFFAOYSA-N
XLogP0.74
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
CID 119387968
N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 119612281
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357
N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride
CID 119600817
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119600722
N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride
CID 119600768
N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride
CID 119600664
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119612506
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119603961
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 119602769) is N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is NCC1CCCC1NC(=O)c1nc2ncc(Br)cn2n1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YHHYEVFFZPMBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN6O/c13-8-5-15-12-17-10(18-19(12)6-8)11(20)16-9-3-1-2-7(9)4-14/h5-7,9H,1-4,14H2,(H,16,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 339.20 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-[2-(aminomethyl)cyclopentyl]-6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 119602769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).