3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide

C8H15N5O — CID 69406056

IUPAC3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide
SMILESCC(C)C(CCc1nn[nH]n1)C(N)=O
InChIInChI=1S/C8H15N5O/c1-5(2)6(8(9)14)3-4-7-10-12-13-11-7/h5-6H,3-4H2,1-2H3,(H2,9,14)(H,10,11,12,13)
InChIKeyXMEAYNKCWHJNNK-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.11
Rot. Bonds5

About 3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide

3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide (PubChem CID 69406056) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide
PubChem CID69406056
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide
SMILESCC(C)C(CCc1nn[nH]n1)C(N)=O
InChIInChI=1S/C8H15N5O/c1-5(2)6(8(9)14)3-4-7-10-12-13-11-7/h5-6H,3-4H2,1-2H3,(H2,9,14)(H,10,11,12,13)
InChIKeyXMEAYNKCWHJNNK-UHFFFAOYSA-N
XLogP-0.11
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide (CID 69406056) is 3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide is CC(C)C(CCc1nn[nH]n1)C(N)=O.
What is the InChIKey of 3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide?
The InChIKey is XMEAYNKCWHJNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5(2)6(8(9)14)3-4-7-10-12-13-11-7/h5-6H,3-4H2,1-2H3,(H2,9,14)(H,10,11,12,13).
What are the key properties of 3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide?
3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide has a molecular weight of 197.24 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 69406056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).