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

C5H8N4O — CID 70407862

IUPAC3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol
SMILESNc1n[nH]c(CC=CO)n1
InChIInChI=1S/C5H8N4O/c6-5-7-4(8-9-5)2-1-3-10/h1,3,10H,2H2,(H3,6,7,8,9)
InChIKeyMMWLXUUPQYPWAZ-UHFFFAOYSA-N
MW140.15 g/mol
LogP0.00
Rot. Bonds2

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

3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol (PubChem CID 70407862) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol.

Molecular Properties

Compound Name3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol
PubChem CID70407862
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol
SMILESNc1n[nH]c(CC=CO)n1
InChIInChI=1S/C5H8N4O/c6-5-7-4(8-9-5)2-1-3-10/h1,3,10H,2H2,(H3,6,7,8,9)
InChIKeyMMWLXUUPQYPWAZ-UHFFFAOYSA-N
XLogP0.00
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol?
The IUPAC name of 3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol (CID 70407862) is 3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol.
What is the SMILES notation for 3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol?
The canonical SMILES for 3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol is Nc1n[nH]c(CC=CO)n1.
What is the InChIKey of 3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol?
The InChIKey is MMWLXUUPQYPWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c6-5-7-4(8-9-5)2-1-3-10/h1,3,10H,2H2,(H3,6,7,8,9).
What are the key properties of 3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol?
3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol has a molecular weight of 140.15 g/mol, XLogP of 0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-1,2,4-triazol-5-yl)prop-1-en-1-ol is sourced from PubChem (CID 70407862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).