3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol

C13H25N5O — CID 62467828

IUPAC3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCCCn1nnnc1CN1CCCC1CCCO
InChIInChI=1S/C13H25N5O/c1-2-3-9-18-13(14-15-16-18)11-17-8-4-6-12(17)7-5-10-19/h12,19H,2-11H2,1H3
InChIKeyRNTWDVQGWAKIFL-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.21
Rot. Bonds8

About 3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467828) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62467828
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCCCn1nnnc1CN1CCCC1CCCO
InChIInChI=1S/C13H25N5O/c1-2-3-9-18-13(14-15-16-18)11-17-8-4-6-12(17)7-5-10-19/h12,19H,2-11H2,1H3
InChIKeyRNTWDVQGWAKIFL-UHFFFAOYSA-N
XLogP1.21
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol 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 3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 62467828) is 3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol is CCCCn1nnnc1CN1CCCC1CCCO.
What is the InChIKey of 3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is RNTWDVQGWAKIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-2-3-9-18-13(14-15-16-18)11-17-8-4-6-12(17)7-5-10-19/h12,19H,2-11H2,1H3.
What are the key properties of 3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 267.38 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).