3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine

C11H15N5O — CID 114797790

IUPAC3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
SMILESCCNc1nc(N)n(-c2cccc(OC)c2)n1
InChIInChI=1S/C11H15N5O/c1-3-13-11-14-10(12)16(15-11)8-5-4-6-9(7-8)17-2/h4-7H,3H2,1-2H3,(H3,12,13,14,15)
InChIKeyKXWCUFPHKIJMQT-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.29
Rot. Bonds4

About 3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine

3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine (PubChem CID 114797790) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
PubChem CID114797790
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
SMILESCCNc1nc(N)n(-c2cccc(OC)c2)n1
InChIInChI=1S/C11H15N5O/c1-3-13-11-14-10(12)16(15-11)8-5-4-6-9(7-8)17-2/h4-7H,3H2,1-2H3,(H3,12,13,14,15)
InChIKeyKXWCUFPHKIJMQT-UHFFFAOYSA-N
XLogP1.29
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976009
2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 114797795
1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58975976
1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58976644
[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol
CID 115056455
[6-[[5-amino-1-(3-methoxyphenyl)-1,2,4-triazol-3-yl]amino]-3-(2-pyrrolidin-1-ylethoxy)cyclohexa-2,4-dien-1-ylidene]methanone
CID 87265698
3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82475232
ethane;N-ethyl-3-methoxyaniline
CID 142222302
6-(3-methoxyphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79281273
1-phenyl-3-N-[(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 1287956

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine (CID 114797790) is 3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine is CCNc1nc(N)n(-c2cccc(OC)c2)n1.
What is the InChIKey of 3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine?
The InChIKey is KXWCUFPHKIJMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-13-11-14-10(12)16(15-11)8-5-4-6-9(7-8)17-2/h4-7H,3H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine?
3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 233.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 114797790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).