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

C14H14N6O — CID 56595687

IUPAC3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
SMILESCOc1ccccc1Nc1nc(N)n(-c2ccccn2)n1
InChIInChI=1S/C14H14N6O/c1-21-11-7-3-2-6-10(11)17-14-18-13(15)20(19-14)12-8-4-5-9-16-12/h2-9H,1H3,(H3,15,17,18,19)
InChIKeyFELCCLMGXTVEGI-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.00
Rot. Bonds4

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

3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 56595687) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
PubChem CID56595687
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
SMILESCOc1ccccc1Nc1nc(N)n(-c2ccccn2)n1
InChIInChI=1S/C14H14N6O/c1-21-11-7-3-2-6-10(11)17-14-18-13(15)20(19-14)12-8-4-5-9-16-12/h2-9H,1H3,(H3,15,17,18,19)
InChIKeyFELCCLMGXTVEGI-UHFFFAOYSA-N
XLogP2.00
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 56595687) is 3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is COc1ccccc1Nc1nc(N)n(-c2ccccn2)n1.
What is the InChIKey of 3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The InChIKey is FELCCLMGXTVEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-21-11-7-3-2-6-10(11)17-14-18-13(15)20(19-14)12-8-4-5-9-16-12/h2-9H,1H3,(H3,15,17,18,19).
What are the key properties of 3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 282.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 56595687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).