1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

C11H12N4 — CID 1108279

IUPAC1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESc1ccc(-n2nnc3c2CCNC3)cc1
InChIInChI=1S/C11H12N4/c1-2-4-9(5-3-1)15-11-6-7-12-8-10(11)13-14-15/h1-5,12H,6-8H2
InChIKeyYNYQXVGPQRXGCM-UHFFFAOYSA-N
MW200.25 g/mol
LogP0.91
Rot. Bonds1

About 1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (PubChem CID 1108279) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
PubChem CID1108279
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESc1ccc(-n2nnc3c2CCNC3)cc1
InChIInChI=1S/C11H12N4/c1-2-4-9(5-3-1)15-11-6-7-12-8-10(11)13-14-15/h1-5,12H,6-8H2
InChIKeyYNYQXVGPQRXGCM-UHFFFAOYSA-N
XLogP0.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The IUPAC name of 1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (CID 1108279) is 1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.
What is the SMILES notation for 1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The canonical SMILES for 1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is c1ccc(-n2nnc3c2CCNC3)cc1.
What is the InChIKey of 1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The InChIKey is YNYQXVGPQRXGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-4-9(5-3-1)15-11-6-7-12-8-10(11)13-14-15/h1-5,12H,6-8H2.
What are the key properties of 1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine has a molecular weight of 200.25 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is sourced from PubChem (CID 1108279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).