5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine

C18H24N4O2 — CID 164858461

IUPAC5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine
SMILESCc1cc(C2CC2)cnc1-c1cn(CC2OCC(C)(C)CO2)nn1
InChIInChI=1S/C18H24N4O2/c1-12-6-14(13-4-5-13)7-19-17(12)15-8-22(21-20-15)9-16-23-10-18(2,3)11-24-16/h6-8,13,16H,4-5,9-11H2,1-3H3
InChIKeyPYEOMQCXBKETBN-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.93
Rot. Bonds4

About 5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine

5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine (PubChem CID 164858461) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine
PubChem CID164858461
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine
SMILESCc1cc(C2CC2)cnc1-c1cn(CC2OCC(C)(C)CO2)nn1
InChIInChI=1S/C18H24N4O2/c1-12-6-14(13-4-5-13)7-19-17(12)15-8-22(21-20-15)9-16-23-10-18(2,3)11-24-16/h6-8,13,16H,4-5,9-11H2,1-3H3
InChIKeyPYEOMQCXBKETBN-UHFFFAOYSA-N
XLogP2.93
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine?
The IUPAC name of 5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine (CID 164858461) is 5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine.
What is the SMILES notation for 5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine?
The canonical SMILES for 5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine is Cc1cc(C2CC2)cnc1-c1cn(CC2OCC(C)(C)CO2)nn1.
What is the InChIKey of 5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine?
The InChIKey is PYEOMQCXBKETBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-6-14(13-4-5-13)7-19-17(12)15-8-22(21-20-15)9-16-23-10-18(2,3)11-24-16/h6-8,13,16H,4-5,9-11H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine?
5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine has a molecular weight of 328.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine is sourced from PubChem (CID 164858461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).