3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile

C9H8N6 — CID 10845706

IUPAC3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile
SMILESN#CCCn1nnc(-c2ccncc2)n1
InChIInChI=1S/C9H8N6/c10-4-1-7-15-13-9(12-14-15)8-2-5-11-6-3-8/h2-3,5-6H,1,7H2
InChIKeyYLXCJDJCYKXGDM-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.65
Rot. Bonds3

About 3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile

3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile (PubChem CID 10845706) has the molecular formula C9H8N6 and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile
PubChem CID10845706
Molecular FormulaC9H8N6
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile
SMILESN#CCCn1nnc(-c2ccncc2)n1
InChIInChI=1S/C9H8N6/c10-4-1-7-15-13-9(12-14-15)8-2-5-11-6-3-8/h2-3,5-6H,1,7H2
InChIKeyYLXCJDJCYKXGDM-UHFFFAOYSA-N
XLogP0.65
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile?
The IUPAC name of 3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile (CID 10845706) is 3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile.
What is the SMILES notation for 3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile?
The canonical SMILES for 3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile is N#CCCn1nnc(-c2ccncc2)n1.
What is the InChIKey of 3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile?
The InChIKey is YLXCJDJCYKXGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6/c10-4-1-7-15-13-9(12-14-15)8-2-5-11-6-3-8/h2-3,5-6H,1,7H2.
What are the key properties of 3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile?
3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile has a molecular weight of 200.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-4-yltetrazol-2-yl)propanenitrile is sourced from PubChem (CID 10845706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).