N-butyl-4-(5-methyltetrazol-1-yl)butanamide

C10H19N5O — CID 13103341

IUPACN-butyl-4-(5-methyltetrazol-1-yl)butanamide
SMILESCCCCNC(=O)CCCn1nnnc1C
InChIInChI=1S/C10H19N5O/c1-3-4-7-11-10(16)6-5-8-15-9(2)12-13-14-15/h3-8H2,1-2H3,(H,11,16)
InChIKeyIFCRHGYNZYTVOG-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.68
Rot. Bonds7

About N-butyl-4-(5-methyltetrazol-1-yl)butanamide

N-butyl-4-(5-methyltetrazol-1-yl)butanamide (PubChem CID 13103341) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-butyl-4-(5-methyltetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-butyl-4-(5-methyltetrazol-1-yl)butanamide
PubChem CID13103341
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-butyl-4-(5-methyltetrazol-1-yl)butanamide
SMILESCCCCNC(=O)CCCn1nnnc1C
InChIInChI=1S/C10H19N5O/c1-3-4-7-11-10(16)6-5-8-15-9(2)12-13-14-15/h3-8H2,1-2H3,(H,11,16)
InChIKeyIFCRHGYNZYTVOG-UHFFFAOYSA-N
XLogP0.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1H-Tetrazole-1-butanamide, N,N-diethyl-5-methyl-
CID 3061971
Butanamide, N-ethyl-4-(((1-ethyl-1H-tetrazol-5-yl)methyl)thio)-
CID 3070083
2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]-N-propylacetamide
CID 45796839
(2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide
CID 164642711
N-((1-cyclohexyl-1H-tetrazol-5-yl)methyl)propionamide
CID 41568263
N-((1-cyclohexyl-1H-tetrazol-5-yl)methyl)butyramide
CID 41568264
4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide
CID 13103342
N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide
CID 13103343
N-hexyl-4-(5-methyltetrazol-1-yl)butanamide
CID 13103344
4-(5-Methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one
CID 13103358
4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide
CID 13103360
N,N-diethyl-5-(5-methyltetrazol-1-yl)pentanamide
CID 13103366

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(5-methyltetrazol-1-yl)butanamide?
The IUPAC name of N-butyl-4-(5-methyltetrazol-1-yl)butanamide (CID 13103341) is N-butyl-4-(5-methyltetrazol-1-yl)butanamide.
What is the SMILES notation for N-butyl-4-(5-methyltetrazol-1-yl)butanamide?
The canonical SMILES for N-butyl-4-(5-methyltetrazol-1-yl)butanamide is CCCCNC(=O)CCCn1nnnc1C.
What is the InChIKey of N-butyl-4-(5-methyltetrazol-1-yl)butanamide?
The InChIKey is IFCRHGYNZYTVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-4-7-11-10(16)6-5-8-15-9(2)12-13-14-15/h3-8H2,1-2H3,(H,11,16).
What are the key properties of N-butyl-4-(5-methyltetrazol-1-yl)butanamide?
N-butyl-4-(5-methyltetrazol-1-yl)butanamide has a molecular weight of 225.30 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(5-methyltetrazol-1-yl)butanamide is sourced from PubChem (CID 13103341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).