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

C12H23N5O — CID 62467285

IUPAC3-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCCn1nnnc1CN1CCCC1CCCO
InChIInChI=1S/C12H23N5O/c1-2-7-17-12(13-14-15-17)10-16-8-3-5-11(16)6-4-9-18/h11,18H,2-10H2,1H3
InChIKeyDWQHAJVEXMPPMR-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.82
Rot. Bonds7

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

3-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467285) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62467285
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name3-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCCn1nnnc1CN1CCCC1CCCO
InChIInChI=1S/C12H23N5O/c1-2-7-17-12(13-14-15-17)10-16-8-3-5-11(16)6-4-9-18/h11,18H,2-10H2,1H3
InChIKeyDWQHAJVEXMPPMR-UHFFFAOYSA-N
XLogP0.82
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(1-propyltetrazol-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-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 62467285) is 3-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol is CCCn1nnnc1CN1CCCC1CCCO.
What is the InChIKey of 3-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is DWQHAJVEXMPPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-2-7-17-12(13-14-15-17)10-16-8-3-5-11(16)6-4-9-18/h11,18H,2-10H2,1H3.
What are the key properties of 3-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).