4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine

C20H24N6 — CID 58883369

IUPAC4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine
SMILESCN(c1cc(-n2cnc(Nc3ccccc3)n2)ccn1)C1CCCCC1
InChIInChI=1S/C20H24N6/c1-25(17-10-6-3-7-11-17)19-14-18(12-13-21-19)26-15-22-20(24-26)23-16-8-4-2-5-9-16/h2,4-5,8-9,12-15,17H,3,6-7,10-11H2,1H3,(H,23,24)
InChIKeyMZLKNCXEFSNQQA-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.17
Rot. Bonds5

About 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine

4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine (PubChem CID 58883369) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine
PubChem CID58883369
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine
SMILESCN(c1cc(-n2cnc(Nc3ccccc3)n2)ccn1)C1CCCCC1
InChIInChI=1S/C20H24N6/c1-25(17-10-6-3-7-11-17)19-14-18(12-13-21-19)26-15-22-20(24-26)23-16-8-4-2-5-9-16/h2,4-5,8-9,12-15,17H,3,6-7,10-11H2,1H3,(H,23,24)
InChIKeyMZLKNCXEFSNQQA-UHFFFAOYSA-N
XLogP4.17
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine?
The IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine (CID 58883369) is 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine?
The canonical SMILES for 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine is CN(c1cc(-n2cnc(Nc3ccccc3)n2)ccn1)C1CCCCC1.
What is the InChIKey of 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine?
The InChIKey is MZLKNCXEFSNQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-25(17-10-6-3-7-11-17)19-14-18(12-13-21-19)26-15-22-20(24-26)23-16-8-4-2-5-9-16/h2,4-5,8-9,12-15,17H,3,6-7,10-11H2,1H3,(H,23,24).
What are the key properties of 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine?
4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine is sourced from PubChem (CID 58883369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).