N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C13H19N5O2 — CID 106289954

IUPACN-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1cnc2ncnn2c1C
InChIInChI=1S/C13H19N5O2/c1-4-5-13(3,20)7-15-11(19)10-6-14-12-16-8-17-18(12)9(10)2/h6,8,20H,4-5,7H2,1-3H3,(H,15,19)
InChIKeyWVGKXMONQLQXBT-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.71
Rot. Bonds5

About N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 106289954) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID106289954
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1cnc2ncnn2c1C
InChIInChI=1S/C13H19N5O2/c1-4-5-13(3,20)7-15-11(19)10-6-14-12-16-8-17-18(12)9(10)2/h6,8,20H,4-5,7H2,1-3H3,(H,15,19)
InChIKeyWVGKXMONQLQXBT-UHFFFAOYSA-N
XLogP0.71
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 106165499
2-[ethyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid
CID 62817899
N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 107155278
(2S)-2-hydroxy-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 107834119
N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103712960
N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 113240365
3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 60989689
7-methyl-N-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 63819418
3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 81077352
N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 66171165
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 106289954) is N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCCC(C)(O)CNC(=O)c1cnc2ncnn2c1C.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WVGKXMONQLQXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-5-13(3,20)7-15-11(19)10-6-14-12-16-8-17-18(12)9(10)2/h6,8,20H,4-5,7H2,1-3H3,(H,15,19).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 106289954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).