3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one

C10H19N5O — CID 107047217

IUPAC3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCCC(C)(C(=O)Cc1nnn(C)n1)N(C)C
InChIInChI=1S/C10H19N5O/c1-6-10(2,14(3)4)8(16)7-9-11-13-15(5)12-9/h6-7H2,1-5H3
InChIKeyPPJHVYISMUYAGD-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.05
Rot. Bonds5

About 3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one

3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107047217) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107047217
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCCC(C)(C(=O)Cc1nnn(C)n1)N(C)C
InChIInChI=1S/C10H19N5O/c1-6-10(2,14(3)4)8(16)7-9-11-13-15(5)12-9/h6-7H2,1-5H3
InChIKeyPPJHVYISMUYAGD-UHFFFAOYSA-N
XLogP0.05
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107047217) is 3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one is CCC(C)(C(=O)Cc1nnn(C)n1)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is PPJHVYISMUYAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-6-10(2,14(3)4)8(16)7-9-11-13-15(5)12-9/h6-7H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 225.30 g/mol, XLogP of 0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107047217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).