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

C19H17ClN4O2 — CID 126484796

IUPAC2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride
SMILESCl.NCc1cc(=O)c2cc(-c3cn(Cc4ccccc4)nn3)ccc2o1
InChIInChI=1S/C19H16N4O2.ClH/c20-10-15-9-18(24)16-8-14(6-7-19(16)25-15)17-12-23(22-21-17)11-13-4-2-1-3-5-13;/h1-9,12H,10-11,20H2;1H
InChIKeyNZXCGCYLYQSMKH-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.98
Rot. Bonds4

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

2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride (PubChem CID 126484796) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride
PubChem CID126484796
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride
SMILESCl.NCc1cc(=O)c2cc(-c3cn(Cc4ccccc4)nn3)ccc2o1
InChIInChI=1S/C19H16N4O2.ClH/c20-10-15-9-18(24)16-8-14(6-7-19(16)25-15)17-12-23(22-21-17)11-13-4-2-1-3-5-13;/h1-9,12H,10-11,20H2;1H
InChIKeyNZXCGCYLYQSMKH-UHFFFAOYSA-N
XLogP2.98
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-phenylethoxy]benzamide
CID 155818569
2-[4-[4-[1-[2-[Benzyl-[2-[4-(4-oxochromen-2-yl)phenoxy]ethyl]amino]ethyl]triazol-4-yl]butoxy]phenyl]-6-methylchromen-4-one
CID 71724582
2-(4-chlorophenyl)-6-((4-(((4-fluorophenyl)amino)methyl)-1H-1,2,3-triazol-1-yl)methyl)-4H-chromen-4-one (Az2k19)
CID 123131754
2-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]anthracene-9,10-dione
CID 24789335
[4-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone
CID 24793586
4-(benzyloxy)-N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)benzamide
CID 164614619
N-ethyl-4-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
CID 164614687
N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
CID 164616391
N-ethyl-4-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
CID 164619562
3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
CID 164630300
2-[[1-[(3-Methylphenyl)methyl]triazol-4-yl]methoxy]benzaldehyde
CID 168287970
2-(Aminomethyl)-6-pyridin-2-ylchromen-4-one;hydrochloride
CID 126484725

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride?
The IUPAC name of 2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride (CID 126484796) is 2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride is Cl.NCc1cc(=O)c2cc(-c3cn(Cc4ccccc4)nn3)ccc2o1.
What is the InChIKey of 2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride?
The InChIKey is NZXCGCYLYQSMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2.ClH/c20-10-15-9-18(24)16-8-14(6-7-19(16)25-15)17-12-23(22-21-17)11-13-4-2-1-3-5-13;/h1-9,12H,10-11,20H2;1H.
What are the key properties of 2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride?
2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride has a molecular weight of 368.82 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(1-benzyltriazol-4-yl)chromen-4-one;hydrochloride is sourced from PubChem (CID 126484796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).