1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride

C18H28ClN5 — CID 6603473

IUPAC1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride
SMILESCCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCCC1.Cl
InChIInChI=1S/C18H27N5.ClH/c1-5-18(3,4)23-17(19-20-21-23)16(22-12-6-7-13-22)15-10-8-14(2)9-11-15;/h8-11,16H,5-7,12-13H2,1-4H3;1H
InChIKeyYHIIGYPAFDWXPQ-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.73
Rot. Bonds5

About 1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride

1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride (PubChem CID 6603473) has the molecular formula C18H28ClN5 and a molecular weight of 349.91 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride
PubChem CID6603473
Molecular FormulaC18H28ClN5
Molecular Weight349.91 g/mol
Exact Mass349.20
IUPAC Name1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride
SMILESCCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCCC1.Cl
InChIInChI=1S/C18H27N5.ClH/c1-5-18(3,4)23-17(19-20-21-23)16(22-12-6-7-13-22)15-10-8-14(2)9-11-15;/h8-11,16H,5-7,12-13H2,1-4H3;1H
InChIKeyYHIIGYPAFDWXPQ-UHFFFAOYSA-N
XLogP3.73
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride?
The IUPAC name of 1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride (CID 6603473) is 1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride?
The canonical SMILES for 1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride is CCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCCC1.Cl.
What is the InChIKey of 1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride?
The InChIKey is YHIIGYPAFDWXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5.ClH/c1-5-18(3,4)23-17(19-20-21-23)16(22-12-6-7-13-22)15-10-8-14(2)9-11-15;/h8-11,16H,5-7,12-13H2,1-4H3;1H.
What are the key properties of 1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride?
1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride has a molecular weight of 349.91 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-ylmethyl]tetrazole;hydrochloride is sourced from PubChem (CID 6603473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).