2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride

C13H13ClN4O2 — CID 126484825

IUPAC2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride
SMILESCl.Cn1cc(-c2ccc3c(=O)cc(CN)oc3c2)nn1
InChIInChI=1S/C13H12N4O2.ClH/c1-17-7-11(15-16-17)8-2-3-10-12(18)5-9(6-14)19-13(10)4-8;/h2-5,7H,6,14H2,1H3;1H
InChIKeyLMZSHJRMSSKLDE-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.47
Rot. Bonds2

About 2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride

2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride (PubChem CID 126484825) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride
PubChem CID126484825
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride
SMILESCl.Cn1cc(-c2ccc3c(=O)cc(CN)oc3c2)nn1
InChIInChI=1S/C13H12N4O2.ClH/c1-17-7-11(15-16-17)8-2-3-10-12(18)5-9(6-14)19-13(10)4-8;/h2-5,7H,6,14H2,1H3;1H
InChIKeyLMZSHJRMSSKLDE-UHFFFAOYSA-N
XLogP1.47
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride?
The IUPAC name of 2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride (CID 126484825) is 2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride is Cl.Cn1cc(-c2ccc3c(=O)cc(CN)oc3c2)nn1.
What is the InChIKey of 2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride?
The InChIKey is LMZSHJRMSSKLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2.ClH/c1-17-7-11(15-16-17)8-2-3-10-12(18)5-9(6-14)19-13(10)4-8;/h2-5,7H,6,14H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride?
2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride has a molecular weight of 292.73 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-(1-methyltriazol-4-yl)chromen-4-one;hydrochloride is sourced from PubChem (CID 126484825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).