1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine

C11H14N4O — CID 79529466

IUPAC1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine
SMILESCOc1ccc(CCn2cc(N)nn2)cc1
InChIInChI=1S/C11H14N4O/c1-16-10-4-2-9(3-5-10)6-7-15-8-11(12)13-14-15/h2-5,8H,6-7,12H2,1H3
InChIKeyYACFXZVMTZZTQZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.11
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine

1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine (PubChem CID 79529466) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine
PubChem CID79529466
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine
SMILESCOc1ccc(CCn2cc(N)nn2)cc1
InChIInChI=1S/C11H14N4O/c1-16-10-4-2-9(3-5-10)6-7-15-8-11(12)13-14-15/h2-5,8H,6-7,12H2,1H3
InChIKeyYACFXZVMTZZTQZ-UHFFFAOYSA-N
XLogP1.11
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine
CID 106220877
2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone
CID 73347920
2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine
CID 66205422
4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol
CID 142449912
4-chloro-3-iodo-1-[2-(4-methoxyphenyl)ethyl]pyrazole
CID 79785349
4-bromo-3-iodo-1-[2-(4-methoxyphenyl)ethyl]pyrazole
CID 79784611
[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine
CID 62456677
methyl 1-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazole-3-carboxylate
CID 78925160
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid
CID 65446393
2-[[5-amino-4-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64573041
4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063897
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]propan-2-amine
CID 154687583

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine (CID 79529466) is 1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine is COc1ccc(CCn2cc(N)nn2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine?
The InChIKey is YACFXZVMTZZTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-10-4-2-9(3-5-10)6-7-15-8-11(12)13-14-15/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine?
1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine has a molecular weight of 218.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine is sourced from PubChem (CID 79529466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).