2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine

C18H19N5O — CID 134589760

IUPAC2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCc1ncc([C@H]2CCOC2)cc1Nc1ncn(-c2ccccc2)n1
InChIInChI=1S/C18H19N5O/c1-13-17(9-15(10-19-13)14-7-8-24-11-14)21-18-20-12-23(22-18)16-5-3-2-4-6-16/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyZFTIDCMLNMUDJF-AWEZNQCLSA-N
MW321.38 g/mol
LogP3.22
Rot. Bonds4

About 2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine

2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine (PubChem CID 134589760) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
PubChem CID134589760
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCc1ncc([C@H]2CCOC2)cc1Nc1ncn(-c2ccccc2)n1
InChIInChI=1S/C18H19N5O/c1-13-17(9-15(10-19-13)14-7-8-24-11-14)21-18-20-12-23(22-18)16-5-3-2-4-6-16/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyZFTIDCMLNMUDJF-AWEZNQCLSA-N
XLogP3.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The IUPAC name of 2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine (CID 134589760) is 2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine.
What is the SMILES notation for 2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The canonical SMILES for 2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine is Cc1ncc([C@H]2CCOC2)cc1Nc1ncn(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The InChIKey is ZFTIDCMLNMUDJF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-17(9-15(10-19-13)14-7-8-24-11-14)21-18-20-12-23(22-18)16-5-3-2-4-6-16/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine has a molecular weight of 321.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 134589760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).