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

C18H15ClN4O2 — CID 126484749

IUPAC2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one;hydrochloride
SMILESCl.NCc1cc(=O)c2cc(-c3cn(-c4ccccc4)nn3)ccc2o1
InChIInChI=1S/C18H14N4O2.ClH/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;1H
InChIKeyNVFMCMCDMFYQLS-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.92
Rot. Bonds3

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

2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one;hydrochloride (PubChem CID 126484749) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one;hydrochloride
PubChem CID126484749
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one;hydrochloride
SMILESCl.NCc1cc(=O)c2cc(-c3cn(-c4ccccc4)nn3)ccc2o1
InChIInChI=1S/C18H14N4O2.ClH/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;1H
InChIKeyNVFMCMCDMFYQLS-UHFFFAOYSA-N
XLogP2.92
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one;hydrochloride?
The IUPAC name of 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one;hydrochloride (CID 126484749) is 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one;hydrochloride is Cl.NCc1cc(=O)c2cc(-c3cn(-c4ccccc4)nn3)ccc2o1.
What is the InChIKey of 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one;hydrochloride?
The InChIKey is NVFMCMCDMFYQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2.ClH/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;1H.
What are the key properties of 2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one;hydrochloride?
2-(aminomethyl)-6-(1-phenyltriazol-4-yl)chromen-4-one;hydrochloride has a molecular weight of 354.80 g/mol, XLogP of 2.92, 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;hydrochloride is sourced from PubChem (CID 126484749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).