4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide

C9H17N5O — CID 60911249

IUPAC4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
SMILESCC(C)CCC(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C9H17N5O/c1-6(2)4-5-8(15)10-7(3)9-11-13-14-12-9/h6-7H,4-5H2,1-3H3,(H,10,15)(H,11,12,13,14)
InChIKeyFLQHMYOTVQNFGI-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.81
Rot. Bonds5

About 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide

4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide (PubChem CID 60911249) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
PubChem CID60911249
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
SMILESCC(C)CCC(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C9H17N5O/c1-6(2)4-5-8(15)10-7(3)9-11-13-14-12-9/h6-7H,4-5H2,1-3H3,(H,10,15)(H,11,12,13,14)
InChIKeyFLQHMYOTVQNFGI-UHFFFAOYSA-N
XLogP0.81
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide?
The IUPAC name of 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide (CID 60911249) is 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide?
The canonical SMILES for 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide is CC(C)CCC(=O)NC(C)c1nn[nH]n1.
What is the InChIKey of 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide?
The InChIKey is FLQHMYOTVQNFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-6(2)4-5-8(15)10-7(3)9-11-13-14-12-9/h6-7H,4-5H2,1-3H3,(H,10,15)(H,11,12,13,14).
What are the key properties of 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide?
4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide has a molecular weight of 211.27 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide is sourced from PubChem (CID 60911249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).