2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine

C12H17N5 — CID 130474370

IUPAC2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine
SMILESCCC(C)(C)c1ccc(-n2cnnn2)nc1C
InChIInChI=1S/C12H17N5/c1-5-12(3,4)10-6-7-11(14-9(10)2)17-8-13-15-16-17/h6-8H,5H2,1-4H3
InChIKeyZPSUPGRVECPAMS-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.05
Rot. Bonds3

About 2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine

2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine (PubChem CID 130474370) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine
PubChem CID130474370
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine
SMILESCCC(C)(C)c1ccc(-n2cnnn2)nc1C
InChIInChI=1S/C12H17N5/c1-5-12(3,4)10-6-7-11(14-9(10)2)17-8-13-15-16-17/h6-8H,5H2,1-4H3
InChIKeyZPSUPGRVECPAMS-UHFFFAOYSA-N
XLogP2.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methyl-8-phenyl[1,2,4]triazolo[4,3-b]pyridazine
CID 760139
2-Methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
CID 13000583
5-(4-Methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 137636406
2-(5-Phenyl-tetrazol-1-yl)-pyridine
CID 229510
2-Ethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
CID 12913974
5-Phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117632648
2-[5-(4-Methylphenyl)-1H-tetrazol-1-yl]pyridine
CID 152755489
5-methyl-2-(1H-tetrazol-1-yl)pyridine
CID 703024
2-methyl-6-(1H-1,2,4-triazol-1-yl)pyridine
CID 46209955
2-(1,2,4-Triazol-1-yl)-6-(trifluoromethyl)pyridine
CID 2744603
5-(3-Methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 137642369
4-Methyl-2-(tetrazol-1-yl)pyridine
CID 11651192

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine?
The IUPAC name of 2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine (CID 130474370) is 2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine.
What is the SMILES notation for 2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine?
The canonical SMILES for 2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine is CCC(C)(C)c1ccc(-n2cnnn2)nc1C.
What is the InChIKey of 2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine?
The InChIKey is ZPSUPGRVECPAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-5-12(3,4)10-6-7-11(14-9(10)2)17-8-13-15-16-17/h6-8H,5H2,1-4H3.
What are the key properties of 2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine?
2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine has a molecular weight of 231.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine is sourced from PubChem (CID 130474370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).