3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine

C11H10N4O2 — CID 141112247

IUPAC3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine
SMILESC1=COC(Cn2cncn2)(c2cccnc2)O1
InChIInChI=1S/C11H10N4O2/c1-2-10(6-12-3-1)11(16-4-5-17-11)7-15-9-13-8-14-15/h1-6,8-9H,7H2
InChIKeyYVYXMPGJQBTDPB-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.04
Rot. Bonds3

About 3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine

3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine (PubChem CID 141112247) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine.

Molecular Properties

Compound Name3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine
PubChem CID141112247
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine
SMILESC1=COC(Cn2cncn2)(c2cccnc2)O1
InChIInChI=1S/C11H10N4O2/c1-2-10(6-12-3-1)11(16-4-5-17-11)7-15-9-13-8-14-15/h1-6,8-9H,7H2
InChIKeyYVYXMPGJQBTDPB-UHFFFAOYSA-N
XLogP1.04
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine?
The IUPAC name of 3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine (CID 141112247) is 3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine.
What is the SMILES notation for 3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine?
The canonical SMILES for 3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine is C1=COC(Cn2cncn2)(c2cccnc2)O1.
What is the InChIKey of 3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine?
The InChIKey is YVYXMPGJQBTDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-2-10(6-12-3-1)11(16-4-5-17-11)7-15-9-13-8-14-15/h1-6,8-9H,7H2.
What are the key properties of 3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine?
3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine has a molecular weight of 230.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine is sourced from PubChem (CID 141112247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).