3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide

C7H13N5O — CID 1225874

IUPAC3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1nn[nH]n1
InChIInChI=1S/C7H13N5O/c1-7(2,3)4-5(13)8-6-9-11-12-10-6/h4H2,1-3H3,(H2,8,9,10,11,12,13)
InChIKeyIMDKJWGJNJLEEA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.57
Rot. Bonds2

About 3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide

3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide (PubChem CID 1225874) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide
PubChem CID1225874
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1nn[nH]n1
InChIInChI=1S/C7H13N5O/c1-7(2,3)4-5(13)8-6-9-11-12-10-6/h4H2,1-3H3,(H2,8,9,10,11,12,13)
InChIKeyIMDKJWGJNJLEEA-UHFFFAOYSA-N
XLogP0.57
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide (CID 1225874) is 3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide is CC(C)(C)CC(=O)Nc1nn[nH]n1.
What is the InChIKey of 3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide?
The InChIKey is IMDKJWGJNJLEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-7(2,3)4-5(13)8-6-9-11-12-10-6/h4H2,1-3H3,(H2,8,9,10,11,12,13).
What are the key properties of 3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide?
3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide has a molecular weight of 183.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide is sourced from PubChem (CID 1225874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).