N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine

C10H12N4O — CID 961586

IUPACN-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine
SMILESCOc1ccc(CNn2cnnc2)cc1
InChIInChI=1S/C10H12N4O/c1-15-10-4-2-9(3-5-10)6-13-14-7-11-12-8-14/h2-5,7-8,13H,6H2,1H3
InChIKeyTYCXLOVYWKXJLX-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.03
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine

N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine (PubChem CID 961586) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine
PubChem CID961586
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine
SMILESCOc1ccc(CNn2cnnc2)cc1
InChIInChI=1S/C10H12N4O/c1-15-10-4-2-9(3-5-10)6-13-14-7-11-12-8-14/h2-5,7-8,13H,6H2,1H3
InChIKeyTYCXLOVYWKXJLX-UHFFFAOYSA-N
XLogP1.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine 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

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
ethane;N-iodo-1-(4-methoxyphenyl)methanamine
CID 142382613
1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618961
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
4-methoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 814682
N-(thiophen-3-ylmethyl)-1,2,4-triazol-4-amine
CID 4726979
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
(4-methoxyphenyl)methanol
CID 7738
ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 142914034
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine
CID 70213389

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine (CID 961586) is N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine is COc1ccc(CNn2cnnc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The InChIKey is TYCXLOVYWKXJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-15-10-4-2-9(3-5-10)6-13-14-7-11-12-8-14/h2-5,7-8,13H,6H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine?
N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine has a molecular weight of 204.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 961586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).