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

C12H21N5O — CID 62469242

IUPAC3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C12H21N5O/c18-8-2-4-10-3-1-7-16(10)9-12-13-14-15-17(12)11-5-6-11/h10-11,18H,1-9H2
InChIKeySCKQLLQKKWFSKI-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.74
Rot. Bonds6

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

3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469242) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62469242
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C12H21N5O/c18-8-2-4-10-3-1-7-16(10)9-12-13-14-15-17(12)11-5-6-11/h10-11,18H,1-9H2
InChIKeySCKQLLQKKWFSKI-UHFFFAOYSA-N
XLogP0.74
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 62469242) is 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1Cc1nnnn1C1CC1.
What is the InChIKey of 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is SCKQLLQKKWFSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c18-8-2-4-10-3-1-7-16(10)9-12-13-14-15-17(12)11-5-6-11/h10-11,18H,1-9H2.
What are the key properties of 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).