3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol

C5H7N3O — CID 67831911

IUPAC3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol
SMILESC=C(O)Cc1ncn[nH]1
InChIInChI=1S/C5H7N3O/c1-4(9)2-5-6-3-7-8-5/h3,9H,1-2H2,(H,6,7,8)
InChIKeyLQCFWUMRDVCUNA-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.42
Rot. Bonds2

About 3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol

3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol (PubChem CID 67831911) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol
PubChem CID67831911
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol
SMILESC=C(O)Cc1ncn[nH]1
InChIInChI=1S/C5H7N3O/c1-4(9)2-5-6-3-7-8-5/h3,9H,1-2H2,(H,6,7,8)
InChIKeyLQCFWUMRDVCUNA-UHFFFAOYSA-N
XLogP0.42
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(1H-1,2,4-triazol-5-yl)ethanethioamide
CID 131121035
N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine
CID 88645908
5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
5-(2-methoxyethyl)-1H-1,2,4-triazole
CID 58490953
hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium
CID 70645510
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 60977964
5-[[2,4,6-trimethyl-3,5-bis(1H-1,2,4-triazol-5-ylmethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 171783575
5-(2,2-dimethylpentyl)-1H-1,2,4-triazole
CID 70291611
2-methyl-6-(1H-1,2,4-triazol-5-yl)hexan-3-one
CID 159797633
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine
CID 70401315
1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine
CID 130987503

Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol?
The IUPAC name of 3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol (CID 67831911) is 3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol is C=C(O)Cc1ncn[nH]1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol?
The InChIKey is LQCFWUMRDVCUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-4(9)2-5-6-3-7-8-5/h3,9H,1-2H2,(H,6,7,8).
What are the key properties of 3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol?
3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol has a molecular weight of 125.13 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol is sourced from PubChem (CID 67831911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).