2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide

C7H12N4O2 — CID 62401695

IUPAC2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
SMILESCC(C(N)=O)n1cc(CCO)nn1
InChIInChI=1S/C7H12N4O2/c1-5(7(8)13)11-4-6(2-3-12)9-10-11/h4-5,12H,2-3H2,1H3,(H2,8,13)
InChIKeyOKSIWEFZFQIRAS-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.14
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide

2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide (PubChem CID 62401695) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
PubChem CID62401695
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
SMILESCC(C(N)=O)n1cc(CCO)nn1
InChIInChI=1S/C7H12N4O2/c1-5(7(8)13)11-4-6(2-3-12)9-10-11/h4-5,12H,2-3H2,1H3,(H2,8,13)
InChIKeyOKSIWEFZFQIRAS-UHFFFAOYSA-N
XLogP-1.14
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide (CID 62401695) is 2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide is CC(C(N)=O)n1cc(CCO)nn1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide?
The InChIKey is OKSIWEFZFQIRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5(7(8)13)11-4-6(2-3-12)9-10-11/h4-5,12H,2-3H2,1H3,(H2,8,13).
What are the key properties of 2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide?
2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide has a molecular weight of 184.20 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide is sourced from PubChem (CID 62401695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).