[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride

C11H16Cl2N4O — CID 155821725

IUPAC[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride
SMILESCOc1ccc(-n2nnc(CN)c2C)cc1.Cl.Cl
InChIInChI=1S/C11H14N4O.2ClH/c1-8-11(7-12)13-14-15(8)9-3-5-10(16-2)6-4-9;;/h3-6H,7,12H2,1-2H3;2*1H
InChIKeyURLCRWQOHHHEIZ-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.89
Rot. Bonds3

About [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride

[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride (PubChem CID 155821725) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride
PubChem CID155821725
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC Name[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride
SMILESCOc1ccc(-n2nnc(CN)c2C)cc1.Cl.Cl
InChIInChI=1S/C11H14N4O.2ClH/c1-8-11(7-12)13-14-15(8)9-3-5-10(16-2)6-4-9;;/h3-6H,7,12H2,1-2H3;2*1H
InChIKeyURLCRWQOHHHEIZ-UHFFFAOYSA-N
XLogP1.89
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-Methoxyphenyl)-5-methyltriazol-4-yl]aniline
CID 118737673
4-(Difluoromethyl)-1-(4-methoxyphenyl)triazole
CID 16074340
2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 51050540
1-(4-Methoxyphenyl)-4-vinyl-triazole
CID 53473128
N-tert-butyl-1-[1-(4-methoxyphenyl)triazol-4-yl]methanimine oxide
CID 90675517
4-(Ethoxymethyl)-1-(4-methoxyphenyl)triazole
CID 121000875
3-[1-(4-Heptoxyphenyl)triazol-4-yl]propan-1-amine;hydrochloride
CID 137640138
2-[3-[1-(4-Heptoxyphenyl)triazol-4-yl]propyl]guanidine;hydrochloride
CID 137657861
4-(Butoxymethyl)-1-(4-methoxyphenyl)triazole
CID 145949296
1-(4-Methoxyphenyl)-4-(propoxymethyl)triazole
CID 145962707
1-(4-Methoxyphenyl)-4-(trifluoromethyl)-1h-1,2,3-triazole
CID 13418326
[1-(4-methoxyphenyl)-1H-pyrazol-3-yl]methanamine hydrochloride
CID 45792003

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride?
The IUPAC name of [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride (CID 155821725) is [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride is COc1ccc(-n2nnc(CN)c2C)cc1.Cl.Cl.
What is the InChIKey of [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride?
The InChIKey is URLCRWQOHHHEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O.2ClH/c1-8-11(7-12)13-14-15(8)9-3-5-10(16-2)6-4-9;;/h3-6H,7,12H2,1-2H3;2*1H.
What are the key properties of [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride?
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride has a molecular weight of 291.18 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanamine;dihydrochloride is sourced from PubChem (CID 155821725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).