6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid

C12H15N5O2 — CID 68745747

IUPAC6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid
SMILESCc1cc(-c2nnn(CC(C)C)n2)cc(C(=O)O)n1
InChIInChI=1S/C12H15N5O2/c1-7(2)6-17-15-11(14-16-17)9-4-8(3)13-10(5-9)12(18)19/h4-5,7H,6H2,1-3H3,(H,18,19)
InChIKeyNVNVHFHINXTKQV-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.40
Rot. Bonds4

About 6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid

6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid (PubChem CID 68745747) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid
PubChem CID68745747
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid
SMILESCc1cc(-c2nnn(CC(C)C)n2)cc(C(=O)O)n1
InChIInChI=1S/C12H15N5O2/c1-7(2)6-17-15-11(14-16-17)9-4-8(3)13-10(5-9)12(18)19/h4-5,7H,6H2,1-3H3,(H,18,19)
InChIKeyNVNVHFHINXTKQV-UHFFFAOYSA-N
XLogP1.40
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid (CID 68745747) is 6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid is Cc1cc(-c2nnn(CC(C)C)n2)cc(C(=O)O)n1.
What is the InChIKey of 6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid?
The InChIKey is NVNVHFHINXTKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7(2)6-17-15-11(14-16-17)9-4-8(3)13-10(5-9)12(18)19/h4-5,7H,6H2,1-3H3,(H,18,19).
What are the key properties of 6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid?
6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 68745747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).