2-methyl-5-(2H-tetrazol-5-yl)hexanamide

C8H15N5O — CID 138499843

IUPAC2-methyl-5-(2H-tetrazol-5-yl)hexanamide
SMILESCC(CCC(C)c1nn[nH]n1)C(N)=O
InChIInChI=1S/C8H15N5O/c1-5(7(9)14)3-4-6(2)8-10-12-13-11-8/h5-6H,3-4H2,1-2H3,(H2,9,14)(H,10,11,12,13)
InChIKeyKQEXMKVSVTUWQO-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.20
Rot. Bonds5

About 2-methyl-5-(2H-tetrazol-5-yl)hexanamide

2-methyl-5-(2H-tetrazol-5-yl)hexanamide (PubChem CID 138499843) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-methyl-5-(2H-tetrazol-5-yl)hexanamide.

Molecular Properties

Compound Name2-methyl-5-(2H-tetrazol-5-yl)hexanamide
PubChem CID138499843
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-methyl-5-(2H-tetrazol-5-yl)hexanamide
SMILESCC(CCC(C)c1nn[nH]n1)C(N)=O
InChIInChI=1S/C8H15N5O/c1-5(7(9)14)3-4-6(2)8-10-12-13-11-8/h5-6H,3-4H2,1-2H3,(H2,9,14)(H,10,11,12,13)
InChIKeyKQEXMKVSVTUWQO-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2H-tetrazol-5-yl)hexanamide?
The IUPAC name of 2-methyl-5-(2H-tetrazol-5-yl)hexanamide (CID 138499843) is 2-methyl-5-(2H-tetrazol-5-yl)hexanamide.
What is the SMILES notation for 2-methyl-5-(2H-tetrazol-5-yl)hexanamide?
The canonical SMILES for 2-methyl-5-(2H-tetrazol-5-yl)hexanamide is CC(CCC(C)c1nn[nH]n1)C(N)=O.
What is the InChIKey of 2-methyl-5-(2H-tetrazol-5-yl)hexanamide?
The InChIKey is KQEXMKVSVTUWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5(7(9)14)3-4-6(2)8-10-12-13-11-8/h5-6H,3-4H2,1-2H3,(H2,9,14)(H,10,11,12,13).
What are the key properties of 2-methyl-5-(2H-tetrazol-5-yl)hexanamide?
2-methyl-5-(2H-tetrazol-5-yl)hexanamide has a molecular weight of 197.24 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2H-tetrazol-5-yl)hexanamide is sourced from PubChem (CID 138499843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).