2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine

C19H21N5O — CID 134589899

IUPAC2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCc1ncc(C2CCOCC2)cc1Nc1ncn(-c2ccccc2)n1
InChIInChI=1S/C19H21N5O/c1-14-18(11-16(12-20-14)15-7-9-25-10-8-15)22-19-21-13-24(23-19)17-5-3-2-4-6-17/h2-6,11-13,15H,7-10H2,1H3,(H,22,23)
InChIKeyFZVRDIIIPQXULQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.61
Rot. Bonds4

About 2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine

2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine (PubChem CID 134589899) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
PubChem CID134589899
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCc1ncc(C2CCOCC2)cc1Nc1ncn(-c2ccccc2)n1
InChIInChI=1S/C19H21N5O/c1-14-18(11-16(12-20-14)15-7-9-25-10-8-15)22-19-21-13-24(23-19)17-5-3-2-4-6-17/h2-6,11-13,15H,7-10H2,1H3,(H,22,23)
InChIKeyFZVRDIIIPQXULQ-UHFFFAOYSA-N
XLogP3.61
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The IUPAC name of 2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine (CID 134589899) is 2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine.
What is the SMILES notation for 2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The canonical SMILES for 2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine is Cc1ncc(C2CCOCC2)cc1Nc1ncn(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The InChIKey is FZVRDIIIPQXULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-18(11-16(12-20-14)15-7-9-25-10-8-15)22-19-21-13-24(23-19)17-5-3-2-4-6-17/h2-6,11-13,15H,7-10H2,1H3,(H,22,23).
What are the key properties of 2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine has a molecular weight of 335.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 134589899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).