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

C9H8N4O2 — CID 110485050

IUPAC(3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone
SMILESNc1ncn(C(=O)c2ccccc2O)n1
InChIInChI=1S/C9H8N4O2/c10-9-11-5-13(12-9)8(15)6-3-1-2-4-7(6)14/h1-5,14H,(H2,10,12)
InChIKeyMKORTUMUORZWIO-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.25
Rot. Bonds1

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

(3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone (PubChem CID 110485050) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is (3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone
PubChem CID110485050
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name(3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone
SMILESNc1ncn(C(=O)c2ccccc2O)n1
InChIInChI=1S/C9H8N4O2/c10-9-11-5-13(12-9)8(15)6-3-1-2-4-7(6)14/h1-5,14H,(H2,10,12)
InChIKeyMKORTUMUORZWIO-UHFFFAOYSA-N
XLogP0.25
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone (CID 110485050) is (3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone is Nc1ncn(C(=O)c2ccccc2O)n1.
What is the InChIKey of (3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is MKORTUMUORZWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-9-11-5-13(12-9)8(15)6-3-1-2-4-7(6)14/h1-5,14H,(H2,10,12).
What are the key properties of (3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone?
(3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 204.19 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 110485050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).