7-(2H-triazol-4-yl)chromen-2-one

C11H7N3O2 — CID 23335872

IUPAC7-(2H-triazol-4-yl)chromen-2-one
SMILESO=c1ccc2ccc(-c3cn[nH]n3)cc2o1
InChIInChI=1S/C11H7N3O2/c15-11-4-3-7-1-2-8(5-10(7)16-11)9-6-12-14-13-9/h1-6H,(H,12,13,14)
InChIKeyUPSWBZSUBPWCEM-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.58
Rot. Bonds1

About 7-(2H-triazol-4-yl)chromen-2-one

7-(2H-triazol-4-yl)chromen-2-one (PubChem CID 23335872) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 7-(2H-triazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name7-(2H-triazol-4-yl)chromen-2-one
PubChem CID23335872
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name7-(2H-triazol-4-yl)chromen-2-one
SMILESO=c1ccc2ccc(-c3cn[nH]n3)cc2o1
InChIInChI=1S/C11H7N3O2/c15-11-4-3-7-1-2-8(5-10(7)16-11)9-6-12-14-13-9/h1-6H,(H,12,13,14)
InChIKeyUPSWBZSUBPWCEM-UHFFFAOYSA-N
XLogP1.58
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-(3-Methoxyphenyl)-1H-1,2,3-triazole
CID 44446804
4-[3-(2-ethylhexoxy)phenyl]-2H-triazole
CID 145966376
4-(3-octoxyphenyl)-2H-triazole
CID 145973931
4-(3-phenylmethoxyphenyl)-2H-triazole
CID 9813690
4-[3-[(4-methylphenyl)methoxy]phenyl]-2H-triazole
CID 145964796
4-(3-ethoxyphenyl)-2H-triazole
CID 145973675
4-[3-[(3-methylphenyl)methoxy]phenyl]-2H-triazole
CID 145975829
Triazolylcoumarin
CID 54306702
4-(Fluoromethyl)-7-[(4-phenyltriazol-1-yl)methyl]chromen-2-one
CID 140160564
4-[3-(trifluoromethoxy)phenyl]-2H-triazole
CID 149906401
4-(4-Fluorophenyl)-7-[[(3-pentan-3-ylpyrazol-1-yl)amino]methyl]chromen-2-one
CID 174537019
7-[[[3-(3-Fluoropentan-3-yl)pyrazol-1-yl]amino]methyl]-4-(4-fluorophenyl)chromen-2-one
CID 174551404

Frequently Asked Questions

What is the IUPAC name of 7-(2H-triazol-4-yl)chromen-2-one?
The IUPAC name of 7-(2H-triazol-4-yl)chromen-2-one (CID 23335872) is 7-(2H-triazol-4-yl)chromen-2-one.
What is the SMILES notation for 7-(2H-triazol-4-yl)chromen-2-one?
The canonical SMILES for 7-(2H-triazol-4-yl)chromen-2-one is O=c1ccc2ccc(-c3cn[nH]n3)cc2o1.
What is the InChIKey of 7-(2H-triazol-4-yl)chromen-2-one?
The InChIKey is UPSWBZSUBPWCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-11-4-3-7-1-2-8(5-10(7)16-11)9-6-12-14-13-9/h1-6H,(H,12,13,14).
What are the key properties of 7-(2H-triazol-4-yl)chromen-2-one?
7-(2H-triazol-4-yl)chromen-2-one has a molecular weight of 213.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2H-triazol-4-yl)chromen-2-one is sourced from PubChem (CID 23335872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).