3-methyl-N-(2H-tetrazol-5-yl)butanamide

C6H11N5O — CID 4550448

IUPAC3-methyl-N-(2H-tetrazol-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1nn[nH]n1
InChIInChI=1S/C6H11N5O/c1-4(2)3-5(12)7-6-8-10-11-9-6/h4H,3H2,1-2H3,(H2,7,8,9,10,11,12)
InChIKeyHRGRYMGYDJCASV-UHFFFAOYSA-N
MW169.19 g/mol
LogP0.18
Rot. Bonds3

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

3-methyl-N-(2H-tetrazol-5-yl)butanamide (PubChem CID 4550448) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 3-methyl-N-(2H-tetrazol-5-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2H-tetrazol-5-yl)butanamide
PubChem CID4550448
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name3-methyl-N-(2H-tetrazol-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1nn[nH]n1
InChIInChI=1S/C6H11N5O/c1-4(2)3-5(12)7-6-8-10-11-9-6/h4H,3H2,1-2H3,(H2,7,8,9,10,11,12)
InChIKeyHRGRYMGYDJCASV-UHFFFAOYSA-N
XLogP0.18
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide
CID 1225874
2-chloro-N-(2H-tetrazol-5-yl)propanamide
CID 82109317
3-chloro-N-(2H-tetrazol-5-yl)propanamide
CID 3253359
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 110720173
3-amino-N-(2H-tetrazol-5-yl)propanamide;hydrochloride
CID 130725338
1,1-dimethyl-3-(2H-tetrazol-5-yl)urea
CID 551595
(2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride
CID 130835173
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-(2H-tetrazol-5-yl)acetamide
CID 154801086
5,5,6,6,8,8,9,9-octamethyl-4-methylidene-2-[2-oxo-2-(2H-tetrazol-5-ylamino)ethyl]decanoic acid
CID 169260430
4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
CID 5192520
2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide
CID 130734610
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2H-tetrazol-5-yl)butanamide?
The IUPAC name of 3-methyl-N-(2H-tetrazol-5-yl)butanamide (CID 4550448) is 3-methyl-N-(2H-tetrazol-5-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(2H-tetrazol-5-yl)butanamide?
The canonical SMILES for 3-methyl-N-(2H-tetrazol-5-yl)butanamide is CC(C)CC(=O)Nc1nn[nH]n1.
What is the InChIKey of 3-methyl-N-(2H-tetrazol-5-yl)butanamide?
The InChIKey is HRGRYMGYDJCASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-4(2)3-5(12)7-6-8-10-11-9-6/h4H,3H2,1-2H3,(H2,7,8,9,10,11,12).
What are the key properties of 3-methyl-N-(2H-tetrazol-5-yl)butanamide?
3-methyl-N-(2H-tetrazol-5-yl)butanamide has a molecular weight of 169.19 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2H-tetrazol-5-yl)butanamide is sourced from PubChem (CID 4550448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).