[4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine

C11H14N4O2 — CID 56715993

IUPAC[4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOc1ccc(OC)c(-n2cnnc2CN)c1
InChIInChI=1S/C11H14N4O2/c1-16-8-3-4-10(17-2)9(5-8)15-7-13-14-11(15)6-12/h3-5,7H,6,12H2,1-2H3
InChIKeyGXBSAAJQLAHINK-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.74
Rot. Bonds4

About [4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine

[4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 56715993) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID56715993
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOc1ccc(OC)c(-n2cnnc2CN)c1
InChIInChI=1S/C11H14N4O2/c1-16-8-3-4-10(17-2)9(5-8)15-7-13-14-11(15)6-12/h3-5,7H,6,12H2,1-2H3
InChIKeyGXBSAAJQLAHINK-UHFFFAOYSA-N
XLogP0.74
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine (CID 56715993) is [4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine is COc1ccc(OC)c(-n2cnnc2CN)c1.
What is the InChIKey of [4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is GXBSAAJQLAHINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-16-8-3-4-10(17-2)9(5-8)15-7-13-14-11(15)6-12/h3-5,7H,6,12H2,1-2H3.
What are the key properties of [4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine?
[4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 234.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 56715993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).