1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

C12H20N6O — CID 47023442

IUPAC1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C12H20N6O/c1-16(2)12(19)10-4-3-7-17(10)8-11-13-14-15-18(11)9-5-6-9/h9-10H,3-8H2,1-2H3
InChIKeyJVORTYGMXHMJGI-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.06
Rot. Bonds4

About 1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 47023442) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID47023442
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C12H20N6O/c1-16(2)12(19)10-4-3-7-17(10)8-11-13-14-15-18(11)9-5-6-9/h9-10H,3-8H2,1-2H3
InChIKeyJVORTYGMXHMJGI-UHFFFAOYSA-N
XLogP0.06
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 47023442) is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1Cc1nnnn1C1CC1.
What is the InChIKey of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is JVORTYGMXHMJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-16(2)12(19)10-4-3-7-17(10)8-11-13-14-15-18(11)9-5-6-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 47023442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).