4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one

C8H14N4O — CID 107046864

IUPAC4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCC(C)CC(=O)Cc1nnn(C)n1
InChIInChI=1S/C8H14N4O/c1-6(2)4-7(13)5-8-9-11-12(3)10-8/h6H,4-5H2,1-3H3
InChIKeyIQPDWXIMMQWKGW-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.37
Rot. Bonds4

About 4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one

4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107046864) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107046864
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCC(C)CC(=O)Cc1nnn(C)n1
InChIInChI=1S/C8H14N4O/c1-6(2)4-7(13)5-8-9-11-12(3)10-8/h6H,4-5H2,1-3H3
InChIKeyIQPDWXIMMQWKGW-UHFFFAOYSA-N
XLogP0.37
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061833
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047263
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
1-ethylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047098
1-(2-methyltetrazol-5-yl)-4-piperidin-3-ylpentan-2-one
CID 107062305
1-tert-butylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047104
6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062048
1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063454
1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062169
1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one
CID 107063530
1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062534

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107046864) is 4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one is CC(C)CC(=O)Cc1nnn(C)n1.
What is the InChIKey of 4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is IQPDWXIMMQWKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(2)4-7(13)5-8-9-11-12(3)10-8/h6H,4-5H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 182.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107046864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).