2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide

C13H23N7O — CID 37268796

IUPAC2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C13H23N7O/c1-17(2)13(21)10-19-7-5-18(6-8-19)9-12-14-15-16-20(12)11-3-4-11/h11H,3-10H2,1-2H3
InChIKeyVBFQKUWWFXOXIP-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.79
Rot. Bonds5

About 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 37268796) has the molecular formula C13H23N7O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID37268796
Molecular FormulaC13H23N7O
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C13H23N7O/c1-17(2)13(21)10-19-7-5-18(6-8-19)9-12-14-15-16-20(12)11-3-4-11/h11H,3-10H2,1-2H3
InChIKeyVBFQKUWWFXOXIP-UHFFFAOYSA-N
XLogP-0.79
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 37268796) is 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(Cc2nnnn2C2CC2)CC1.
What is the InChIKey of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is VBFQKUWWFXOXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-17(2)13(21)10-19-7-5-18(6-8-19)9-12-14-15-16-20(12)11-3-4-11/h11H,3-10H2,1-2H3.
What are the key properties of 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 293.37 g/mol, XLogP of -0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 37268796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).