4-methyl-2-(5-methyltetrazol-1-yl)pentanamide

C8H15N5O — CID 12967961

IUPAC4-methyl-2-(5-methyltetrazol-1-yl)pentanamide
SMILESCc1nnnn1C(CC(C)C)C(N)=O
InChIInChI=1S/C8H15N5O/c1-5(2)4-7(8(9)14)13-6(3)10-11-12-13/h5,7H,4H2,1-3H3,(H2,9,14)
InChIKeyHCRZOTOWIXGFTC-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.05
Rot. Bonds4

About 4-methyl-2-(5-methyltetrazol-1-yl)pentanamide

4-methyl-2-(5-methyltetrazol-1-yl)pentanamide (PubChem CID 12967961) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-methyl-2-(5-methyltetrazol-1-yl)pentanamide.

Molecular Properties

Compound Name4-methyl-2-(5-methyltetrazol-1-yl)pentanamide
PubChem CID12967961
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name4-methyl-2-(5-methyltetrazol-1-yl)pentanamide
SMILESCc1nnnn1C(CC(C)C)C(N)=O
InChIInChI=1S/C8H15N5O/c1-5(2)4-7(8(9)14)13-6(3)10-11-12-13/h5,7H,4H2,1-3H3,(H2,9,14)
InChIKeyHCRZOTOWIXGFTC-UHFFFAOYSA-N
XLogP0.05
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methyltetrazol-1-yl)pentanamide?
The IUPAC name of 4-methyl-2-(5-methyltetrazol-1-yl)pentanamide (CID 12967961) is 4-methyl-2-(5-methyltetrazol-1-yl)pentanamide.
What is the SMILES notation for 4-methyl-2-(5-methyltetrazol-1-yl)pentanamide?
The canonical SMILES for 4-methyl-2-(5-methyltetrazol-1-yl)pentanamide is Cc1nnnn1C(CC(C)C)C(N)=O.
What is the InChIKey of 4-methyl-2-(5-methyltetrazol-1-yl)pentanamide?
The InChIKey is HCRZOTOWIXGFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5(2)4-7(8(9)14)13-6(3)10-11-12-13/h5,7H,4H2,1-3H3,(H2,9,14).
What are the key properties of 4-methyl-2-(5-methyltetrazol-1-yl)pentanamide?
4-methyl-2-(5-methyltetrazol-1-yl)pentanamide has a molecular weight of 197.24 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methyltetrazol-1-yl)pentanamide is sourced from PubChem (CID 12967961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).