3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide

C9H17N5O2 — CID 62794548

IUPAC3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H17N5O2/c1-5(2)3-6(4-15)11-8(16)7-12-9(10)14-13-7/h5-6,15H,3-4H2,1-2H3,(H,11,16)(H3,10,12,13,14)
InChIKeyUYWQVNHYJZJTFQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.48
Rot. Bonds5

About 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62794548) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62794548
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H17N5O2/c1-5(2)3-6(4-15)11-8(16)7-12-9(10)14-13-7/h5-6,15H,3-4H2,1-2H3,(H,11,16)(H3,10,12,13,14)
InChIKeyUYWQVNHYJZJTFQ-UHFFFAOYSA-N
XLogP-0.48
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 78947631
2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 55115003
3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 55115054
(2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 55115197
3-amino-N-hexyl-N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115433
3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 55115572
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide
CID 55210504
(2S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 62792135
3-amino-N-[2-(dimethylamino)-4-methylpentyl]-1H-1,2,4-triazole-5-carboxamide
CID 62792141
(2S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 62792317
3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide
CID 62792321
3-amino-N-(2-hydroxyethyl)-N-pentan-3-yl-1H-1,2,4-triazole-5-carboxamide
CID 62792331

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide (CID 62794548) is 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide is CC(C)CC(CO)NC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is UYWQVNHYJZJTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-5(2)3-6(4-15)11-8(16)7-12-9(10)14-13-7/h5-6,15H,3-4H2,1-2H3,(H,11,16)(H3,10,12,13,14).
What are the key properties of 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 227.27 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62794548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).