3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

C17H18N6 — CID 165435645

IUPAC3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc(N2CC(c3nnc4ccccn34)C2)nc(C2CC2)n1
InChIInChI=1S/C17H18N6/c1-11-8-15(19-16(18-11)12-5-6-12)22-9-13(10-22)17-21-20-14-4-2-3-7-23(14)17/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKeyBVVRVJZZPCTORQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.31
Rot. Bonds3

About 3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 165435645) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID165435645
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc(N2CC(c3nnc4ccccn34)C2)nc(C2CC2)n1
InChIInChI=1S/C17H18N6/c1-11-8-15(19-16(18-11)12-5-6-12)22-9-13(10-22)17-21-20-14-4-2-3-7-23(14)17/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKeyBVVRVJZZPCTORQ-UHFFFAOYSA-N
XLogP2.31
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 165435645) is 3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1cc(N2CC(c3nnc4ccccn34)C2)nc(C2CC2)n1.
What is the InChIKey of 3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BVVRVJZZPCTORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-11-8-15(19-16(18-11)12-5-6-12)22-9-13(10-22)17-21-20-14-4-2-3-7-23(14)17/h2-4,7-8,12-13H,5-6,9-10H2,1H3.
What are the key properties of 3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 306.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 165435645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).