N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C9H16N4O3 — CID 136752827

IUPACN-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C9H16N4O3/c1-5(2)3-6(14)4-10-8(15)7-11-9(16)13-12-7/h5-6,14H,3-4H2,1-2H3,(H,10,15)(H2,11,12,13,16)
InChIKeyIYGHTYVJGXYLTB-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.77
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136752827) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136752827
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C9H16N4O3/c1-5(2)3-6(14)4-10-8(15)7-11-9(16)13-12-7/h5-6,14H,3-4H2,1-2H3,(H,10,15)(H2,11,12,13,16)
InChIKeyIYGHTYVJGXYLTB-UHFFFAOYSA-N
XLogP-0.77
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-hydroxy-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61246007
6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63239466
6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 66178808
N-(2-hydroxy-3-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940320
N-(3-ethyl-2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940573
N-(2-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940576
6-[(2-hydroxy-4,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 113237737
6-(2-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione
CID 115622853
6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 115644049
N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136697108
N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136703856
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136720405

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136752827) is N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CC(C)CC(O)CNC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is IYGHTYVJGXYLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-5(2)3-6(14)4-10-8(15)7-11-9(16)13-12-7/h5-6,14H,3-4H2,1-2H3,(H,10,15)(H2,11,12,13,16).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136752827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).