3-methyl-4-(1-methyltetrazol-5-yl)pyridine

C8H9N5 — CID 155651319

IUPAC3-methyl-4-(1-methyltetrazol-5-yl)pyridine
SMILESCc1cnccc1-c1nnnn1C
InChIInChI=1S/C8H9N5/c1-6-5-9-4-3-7(6)8-10-11-12-13(8)2/h3-5H,1-2H3
InChIKeyNBFMASUCEYPESG-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.58
Rot. Bonds1

About 3-methyl-4-(1-methyltetrazol-5-yl)pyridine

3-methyl-4-(1-methyltetrazol-5-yl)pyridine (PubChem CID 155651319) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-methyl-4-(1-methyltetrazol-5-yl)pyridine.

Molecular Properties

Compound Name3-methyl-4-(1-methyltetrazol-5-yl)pyridine
PubChem CID155651319
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name3-methyl-4-(1-methyltetrazol-5-yl)pyridine
SMILESCc1cnccc1-c1nnnn1C
InChIInChI=1S/C8H9N5/c1-6-5-9-4-3-7(6)8-10-11-12-13(8)2/h3-5H,1-2H3
InChIKeyNBFMASUCEYPESG-UHFFFAOYSA-N
XLogP0.58
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methyltetrazol-5-yl)pyridine?
The IUPAC name of 3-methyl-4-(1-methyltetrazol-5-yl)pyridine (CID 155651319) is 3-methyl-4-(1-methyltetrazol-5-yl)pyridine.
What is the SMILES notation for 3-methyl-4-(1-methyltetrazol-5-yl)pyridine?
The canonical SMILES for 3-methyl-4-(1-methyltetrazol-5-yl)pyridine is Cc1cnccc1-c1nnnn1C.
What is the InChIKey of 3-methyl-4-(1-methyltetrazol-5-yl)pyridine?
The InChIKey is NBFMASUCEYPESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-6-5-9-4-3-7(6)8-10-11-12-13(8)2/h3-5H,1-2H3.
What are the key properties of 3-methyl-4-(1-methyltetrazol-5-yl)pyridine?
3-methyl-4-(1-methyltetrazol-5-yl)pyridine has a molecular weight of 175.19 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methyltetrazol-5-yl)pyridine is sourced from PubChem (CID 155651319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).