2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine

C12H17N5 — CID 57109567

IUPAC2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine
SMILESCC(C)C(Cc1ccccn1)Cc1nn[nH]n1
InChIInChI=1S/C12H17N5/c1-9(2)10(8-12-14-16-17-15-12)7-11-5-3-4-6-13-11/h3-6,9-10H,7-8H2,1-2H3,(H,14,15,16,17)
InChIKeyCIVRBOHGYZHURK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.65
Rot. Bonds5

About 2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine

2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine (PubChem CID 57109567) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine.

Molecular Properties

Compound Name2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine
PubChem CID57109567
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine
SMILESCC(C)C(Cc1ccccn1)Cc1nn[nH]n1
InChIInChI=1S/C12H17N5/c1-9(2)10(8-12-14-16-17-15-12)7-11-5-3-4-6-13-11/h3-6,9-10H,7-8H2,1-2H3,(H,14,15,16,17)
InChIKeyCIVRBOHGYZHURK-UHFFFAOYSA-N
XLogP1.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-phenylpropyl)-2H-tetrazole
CID 130947547
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2-(3-ethyl-4-methylpentyl)pyridine
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3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
2-[2-(3-ethyloxiran-2-yl)propyl]pyridine
CID 83930025
2-(2-cyclopropyl-3-methylbutyl)pyridine
CID 54206046
(3,4-dimethyl-1-pyridin-2-ylpentan-2-yl)hydrazine
CID 105315374
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074
ethane;3-methyl-4-pyridin-2-ylbutan-2-one
CID 177154285

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine?
The IUPAC name of 2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine (CID 57109567) is 2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine.
What is the SMILES notation for 2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine?
The canonical SMILES for 2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine is CC(C)C(Cc1ccccn1)Cc1nn[nH]n1.
What is the InChIKey of 2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine?
The InChIKey is CIVRBOHGYZHURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(2)10(8-12-14-16-17-15-12)7-11-5-3-4-6-13-11/h3-6,9-10H,7-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine?
2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine has a molecular weight of 231.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine is sourced from PubChem (CID 57109567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).