3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine

C9H15N3 — CID 21136070

IUPAC3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
SMILESCC(C)c1nnn2c1CCCC2
InChIInChI=1S/C9H15N3/c1-7(2)9-8-5-3-4-6-12(8)11-10-9/h7H,3-6H2,1-2H3
InChIKeyXYUUTVQZSWRQLL-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.74
Rot. Bonds1

About 3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine

3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine (PubChem CID 21136070) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
PubChem CID21136070
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
SMILESCC(C)c1nnn2c1CCCC2
InChIInChI=1S/C9H15N3/c1-7(2)9-8-5-3-4-6-12(8)11-10-9/h7H,3-6H2,1-2H3
InChIKeyXYUUTVQZSWRQLL-UHFFFAOYSA-N
XLogP1.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The IUPAC name of 3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine (CID 21136070) is 3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine.
What is the SMILES notation for 3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The canonical SMILES for 3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine is CC(C)c1nnn2c1CCCC2.
What is the InChIKey of 3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The InChIKey is XYUUTVQZSWRQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(2)9-8-5-3-4-6-12(8)11-10-9/h7H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine has a molecular weight of 165.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine is sourced from PubChem (CID 21136070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).