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

C13H19N5O2 — CID 107155278

IUPACN-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(O)CC(C)C)cnc2ncnn12
InChIInChI=1S/C13H19N5O2/c1-8(2)4-10(19)5-14-12(20)11-6-15-13-16-7-17-18(13)9(11)3/h6-8,10,19H,4-5H2,1-3H3,(H,14,20)
InChIKeyNLRHFOJPNGPPKM-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.57
Rot. Bonds5

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

N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 107155278) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID107155278
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(O)CC(C)C)cnc2ncnn12
InChIInChI=1S/C13H19N5O2/c1-8(2)4-10(19)5-14-12(20)11-6-15-13-16-7-17-18(13)9(11)3/h6-8,10,19H,4-5H2,1-3H3,(H,14,20)
InChIKeyNLRHFOJPNGPPKM-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxy-4-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
(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)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 106289954
3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167067
3-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 81077352
3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 60989689
N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide
CID 104629610
7-methyl-N-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 63819418
2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 65217994
N-(2-methoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 16585086
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
2-[ethyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid
CID 62817899

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 107155278) is N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCC(O)CC(C)C)cnc2ncnn12.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is NLRHFOJPNGPPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8(2)4-10(19)5-14-12(20)11-6-15-13-16-7-17-18(13)9(11)3/h6-8,10,19H,4-5H2,1-3H3,(H,14,20).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 107155278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).