5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine

C8H14N4 — CID 130728343

IUPAC5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESCC(C)N1CCc2n[nH]nc2C1
InChIInChI=1S/C8H14N4/c1-6(2)12-4-3-7-8(5-12)10-11-9-7/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyQSCZJHBEYZOPNR-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.57
Rot. Bonds1

About 5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine

5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine (PubChem CID 130728343) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine
PubChem CID130728343
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESCC(C)N1CCc2n[nH]nc2C1
InChIInChI=1S/C8H14N4/c1-6(2)12-4-3-7-8(5-12)10-11-9-7/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyQSCZJHBEYZOPNR-UHFFFAOYSA-N
XLogP0.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The IUPAC name of 5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine (CID 130728343) is 5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine.
What is the SMILES notation for 5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The canonical SMILES for 5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine is CC(C)N1CCc2n[nH]nc2C1.
What is the InChIKey of 5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The InChIKey is QSCZJHBEYZOPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6(2)12-4-3-7-8(5-12)10-11-9-7/h6H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of 5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine?
5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine has a molecular weight of 166.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine is sourced from PubChem (CID 130728343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).