3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide

C6H11N5O2 — CID 94599693

IUPAC3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
SMILESC[C@H](O)CNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C6H11N5O2/c1-3(12)2-8-5(13)4-9-6(7)11-10-4/h3,12H,2H2,1H3,(H,8,13)(H3,7,9,10,11)/t3-/m0/s1
InChIKeyDDQNMLBEVLKPIS-VKHMYHEASA-N
MW185.19 g/mol
LogP-1.50
Rot. Bonds3

About 3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 94599693) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID94599693
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
SMILESC[C@H](O)CNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C6H11N5O2/c1-3(12)2-8-5(13)4-9-6(7)11-10-4/h3,12H,2H2,1H3,(H,8,13)(H3,7,9,10,11)/t3-/m0/s1
InChIKeyDDQNMLBEVLKPIS-VKHMYHEASA-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-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794373
3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide
CID 62793002
3-amino-N-[2-(dimethylamino)-2-phenylethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794723
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 94599696
3-amino-N-(5-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-5-carboxamide
CID 106161215
3-amino-N-(3-methylbut-2-enyl)-1H-1,2,4-triazole-5-carboxamide
CID 106187377
3-amino-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 63960581
3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807194
3-amino-N-[4-[methyl(propan-2-yl)amino]butyl]-1H-1,2,4-triazole-5-carboxamide
CID 62792853
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807198
4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076723
3-amino-N-(1-methoxypropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807690

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide (CID 94599693) is 3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide is C[C@H](O)CNC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is DDQNMLBEVLKPIS-VKHMYHEASA-N. The full InChI is InChI=1S/C6H11N5O2/c1-3(12)2-8-5(13)4-9-6(7)11-10-4/h3,12H,2H2,1H3,(H,8,13)(H3,7,9,10,11)/t3-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(2S)-2-hydroxypropyl]-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-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 94599693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).