(2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide

C5H8N4O2 — CID 97030186

IUPAC(2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESC[C@@H](O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4O2/c1-3(10)4(11)8-5-6-2-7-9-5/h2-3,10H,1H3,(H2,6,7,8,9,11)/t3-/m1/s1
InChIKeyOCWNVAKPDVTECS-GSVOUGTGSA-N
MW156.15 g/mol
LogP-0.88
Rot. Bonds2

About (2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide

(2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 97030186) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID97030186
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name(2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESC[C@@H](O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4O2/c1-3(10)4(11)8-5-6-2-7-9-5/h2-3,10H,1H3,(H2,6,7,8,9,11)/t3-/m1/s1
InChIKeyOCWNVAKPDVTECS-GSVOUGTGSA-N
XLogP-0.88
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of (2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 97030186) is (2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide is C[C@@H](O)C(=O)Nc1ncn[nH]1.
What is the InChIKey of (2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is OCWNVAKPDVTECS-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-3(10)4(11)8-5-6-2-7-9-5/h2-3,10H,1H3,(H2,6,7,8,9,11)/t3-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide?
(2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 156.15 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 97030186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).