(3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone

C9H8N4O2 — CID 67284594

IUPAC(3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone
SMILESNc1n[nH]c(C(=O)c2ccccc2O)n1
InChIInChI=1S/C9H8N4O2/c10-9-11-8(12-13-9)7(15)5-3-1-2-4-6(5)14/h1-4,14H,(H3,10,11,12,13)
InChIKeySNJAYFIFURSZQU-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.32
Rot. Bonds2

About (3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone

(3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone (PubChem CID 67284594) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is (3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone
PubChem CID67284594
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name(3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone
SMILESNc1n[nH]c(C(=O)c2ccccc2O)n1
InChIInChI=1S/C9H8N4O2/c10-9-11-8(12-13-9)7(15)5-3-1-2-4-6(5)14/h1-4,14H,(H3,10,11,12,13)
InChIKeySNJAYFIFURSZQU-UHFFFAOYSA-N
XLogP0.32
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone (CID 67284594) is (3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone is Nc1n[nH]c(C(=O)c2ccccc2O)n1.
What is the InChIKey of (3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is SNJAYFIFURSZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-9-11-8(12-13-9)7(15)5-3-1-2-4-6(5)14/h1-4,14H,(H3,10,11,12,13).
What are the key properties of (3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone?
(3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 204.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-1,2,4-triazol-5-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 67284594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).