3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide

C6H11N5O2 — CID 94599696

IUPAC3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESC[C@H](CO)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C6H11N5O2/c1-3(2-12)8-5(13)4-9-6(7)11-10-4/h3,12H,2H2,1H3,(H,8,13)(H3,7,9,10,11)/t3-/m1/s1
InChIKeyCAGCCQBZIOSNBW-GSVOUGTGSA-N
MW185.19 g/mol
LogP-1.50
Rot. Bonds3

About 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 94599696) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID94599696
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESC[C@H](CO)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C6H11N5O2/c1-3(2-12)8-5(13)4-9-6(7)11-10-4/h3,12H,2H2,1H3,(H,8,13)(H3,7,9,10,11)/t3-/m1/s1
InChIKeyCAGCCQBZIOSNBW-GSVOUGTGSA-N
XLogP-1.50
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(1-methoxypropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807690
(2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 55115197
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65049024
3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 94599693
3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 62808619
3-amino-N-(5-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-5-carboxamide
CID 106161215
4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
CID 107210470
(2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 103927256
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94344980
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81359186
3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide
CID 64974852
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81380291

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide (CID 94599696) is 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide is C[C@H](CO)NC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is CAGCCQBZIOSNBW-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-3(2-12)8-5(13)4-9-6(7)11-10-4/h3,12H,2H2,1H3,(H,8,13)(H3,7,9,10,11)/t3-/m1/s1.
What are the key properties of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 185.19 g/mol, XLogP of -1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 94599696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).