[1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride

C10H13ClN4O — CID 47002584

IUPAC[1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride
SMILESCOc1cccc(-n2cc(CN)nn2)c1.Cl
InChIInChI=1S/C10H12N4O.ClH/c1-15-10-4-2-3-9(5-10)14-7-8(6-11)12-13-14;/h2-5,7H,6,11H2,1H3;1H
InChIKeyGOWGCNTVENIVHT-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.16
Rot. Bonds3

About [1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride

[1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride (PubChem CID 47002584) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride
PubChem CID47002584
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name[1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride
SMILESCOc1cccc(-n2cc(CN)nn2)c1.Cl
InChIInChI=1S/C10H12N4O.ClH/c1-15-10-4-2-3-9(5-10)14-7-8(6-11)12-13-14;/h2-5,7H,6,11H2,1H3;1H
InChIKeyGOWGCNTVENIVHT-UHFFFAOYSA-N
XLogP1.16
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride (CID 47002584) is [1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride is COc1cccc(-n2cc(CN)nn2)c1.Cl.
What is the InChIKey of [1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride?
The InChIKey is GOWGCNTVENIVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O.ClH/c1-15-10-4-2-3-9(5-10)14-7-8(6-11)12-13-14;/h2-5,7H,6,11H2,1H3;1H.
What are the key properties of [1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride?
[1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride has a molecular weight of 240.69 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)triazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 47002584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).