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

C12H22N6O — CID 66053971

IUPAC1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1nnnn1C1CC1
InChIInChI=1S/C12H22N6O/c1-16(2)6-10-5-11(19)7-17(10)8-12-13-14-15-18(12)9-3-4-9/h9-11,19H,3-8H2,1-2H3
InChIKeyCKDLNUYKOVOUIY-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.50
Rot. Bonds5

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

1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66053971) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66053971
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1nnnn1C1CC1
InChIInChI=1S/C12H22N6O/c1-16(2)6-10-5-11(19)7-17(10)8-12-13-14-15-18(12)9-3-4-9/h9-11,19H,3-8H2,1-2H3
InChIKeyCKDLNUYKOVOUIY-UHFFFAOYSA-N
XLogP-0.50
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66053971) is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1Cc1nnnn1C1CC1.
What is the InChIKey of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is CKDLNUYKOVOUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-16(2)6-10-5-11(19)7-17(10)8-12-13-14-15-18(12)9-3-4-9/h9-11,19H,3-8H2,1-2H3.
What are the key properties of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 266.35 g/mol, XLogP of -0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66053971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).