2-(5-propan-2-yltetrazol-1-yl)hexanoic acid

C10H18N4O2 — CID 82226143

IUPAC2-(5-propan-2-yltetrazol-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)n1nnnc1C(C)C
InChIInChI=1S/C10H18N4O2/c1-4-5-6-8(10(15)16)14-9(7(2)3)11-12-13-14/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyWFZLMWPKGNAART-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.61
Rot. Bonds6

About 2-(5-propan-2-yltetrazol-1-yl)hexanoic acid

2-(5-propan-2-yltetrazol-1-yl)hexanoic acid (PubChem CID 82226143) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(5-propan-2-yltetrazol-1-yl)hexanoic acid.

Molecular Properties

Compound Name2-(5-propan-2-yltetrazol-1-yl)hexanoic acid
PubChem CID82226143
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-(5-propan-2-yltetrazol-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)n1nnnc1C(C)C
InChIInChI=1S/C10H18N4O2/c1-4-5-6-8(10(15)16)14-9(7(2)3)11-12-13-14/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyWFZLMWPKGNAART-UHFFFAOYSA-N
XLogP1.61
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-propan-2-yltetrazol-1-yl)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid
CID 82226192
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid
CID 82226164
2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid
CID 82226178
1-pentyl-5-propan-2-yltetrazole
CID 69031680
2-[5-[(1S)-2-(1-benzothiophen-3-yl)-1-(phenylmethoxycarbonylamino)ethyl]tetrazol-1-yl]hexanoic acid
CID 122439556
(2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid
CID 94969962
2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid
CID 82226060
2-[5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylethyl]tetrazol-1-yl]hexanoic acid
CID 122439565
2-[5-(4-bromophenyl)tetrazol-1-yl]pentanoic acid
CID 82226038
2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid
CID 82226071
3-(5-propan-2-yltetrazol-1-yl)butan-2-ol
CID 130734820
2-(5-heptan-3-yltetrazol-1-yl)-2-methylpropanoic acid
CID 66041792

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yltetrazol-1-yl)hexanoic acid?
The IUPAC name of 2-(5-propan-2-yltetrazol-1-yl)hexanoic acid (CID 82226143) is 2-(5-propan-2-yltetrazol-1-yl)hexanoic acid.
What is the SMILES notation for 2-(5-propan-2-yltetrazol-1-yl)hexanoic acid?
The canonical SMILES for 2-(5-propan-2-yltetrazol-1-yl)hexanoic acid is CCCCC(C(=O)O)n1nnnc1C(C)C.
What is the InChIKey of 2-(5-propan-2-yltetrazol-1-yl)hexanoic acid?
The InChIKey is WFZLMWPKGNAART-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-5-6-8(10(15)16)14-9(7(2)3)11-12-13-14/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-(5-propan-2-yltetrazol-1-yl)hexanoic acid?
2-(5-propan-2-yltetrazol-1-yl)hexanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yltetrazol-1-yl)hexanoic acid is sourced from PubChem (CID 82226143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).