2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one

C18H14N4O2 — CID 126484741

IUPAC2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one
SMILESNCc1cc(=O)c2cc(-c3cn(-c4ccccc4)nn3)ccc2o1
InChIInChI=1S/C18H14N4O2/c19-10-14-9-17(23)15-8-12(6-7-18(15)24-14)16-11-22(21-20-16)13-4-2-1-3-5-13/h1-9,11H,10,19H2
InChIKeyVMPCXFFRGWEZSX-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.50
Rot. Bonds3

About 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one

2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one (PubChem CID 126484741) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one
PubChem CID126484741
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one
SMILESNCc1cc(=O)c2cc(-c3cn(-c4ccccc4)nn3)ccc2o1
InChIInChI=1S/C18H14N4O2/c19-10-14-9-17(23)15-8-12(6-7-18(15)24-14)16-11-22(21-20-16)13-4-2-1-3-5-13/h1-9,11H,10,19H2
InChIKeyVMPCXFFRGWEZSX-UHFFFAOYSA-N
XLogP2.50
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine
CID 150205928
4-(4-bromophenyl)-1-phenyltriazole
CID 58349860
ethane;4-(1-phenyltriazol-4-yl)benzaldehyde
CID 91438948
10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine
CID 118281982
3-[1-(4-phenylphenyl)triazol-4-yl]benzoic acid
CID 156834067
4-[4-(4-methylphenyl)triazol-1-yl]chromen-2-one
CID 11673879
4-[4-[4-(2H-triazol-4-yl)phenyl]triazol-1-yl]chromen-2-one
CID 177154827
2-phenyl-6-(2H-tetrazol-5-yl)chromen-4-one
CID 2817492
4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide
CID 121195822
2-[[4-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]phenyl]sulfinylmethyl]-4,5-diphenyl-1,3-oxazole
CID 155519743
4-methyl-7-[1-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]triazol-4-yl]chromen-2-one
CID 137081557
3-[1-(4-carboxyphenyl)triazol-4-yl]benzoic acid
CID 166434559

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one?
The IUPAC name of 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one (CID 126484741) is 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one?
The canonical SMILES for 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one is NCc1cc(=O)c2cc(-c3cn(-c4ccccc4)nn3)ccc2o1.
What is the InChIKey of 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one?
The InChIKey is VMPCXFFRGWEZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-10-14-9-17(23)15-8-12(6-7-18(15)24-14)16-11-22(21-20-16)13-4-2-1-3-5-13/h1-9,11H,10,19H2.
What are the key properties of 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one?
2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one has a molecular weight of 318.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one is sourced from PubChem (CID 126484741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).