1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one

C11H20N6O — CID 13138442

IUPAC1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one
SMILESCc1nnnn1CCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H20N6O/c1-10-12-13-14-17(10)5-3-4-11(18)16-8-6-15(2)7-9-16/h3-9H2,1-2H3
InChIKeyHGUBAAUJWXFQFA-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.46
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one

1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one (PubChem CID 13138442) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one
PubChem CID13138442
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one
SMILESCc1nnnn1CCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H20N6O/c1-10-12-13-14-17(10)5-3-4-11(18)16-8-6-15(2)7-9-16/h3-9H2,1-2H3
InChIKeyHGUBAAUJWXFQFA-UHFFFAOYSA-N
XLogP-0.46
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Tetrazole-1-butanamide, N,N-diethyl-5-methyl-
CID 3061971
1H-Tetrazole-1-butanamide, N-cyclohexyl-N-ethyl-5-methyl-
CID 3061972
1-[4-[(1-Propyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 45800023
1-{1-[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]azetidin-3-yl}piperidine
CID 91797952
3-Ethyl-1-methyl-4-[1-(1-methyltetrazol-5-yl)propyl]piperazine-2,6-dione
CID 15550353
7-Acetyltetrazolo [1,5-a]piperazine
CID 129779475
1-[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 124210465
2-(5-Methyltetrazol-1-yl)-1-piperidin-1-ylethanone
CID 821927
(3S)-1,3-dimethyl-4-{[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetyl}-2-piperazinone
CID 42193750
N-butyl-4-(5-methyltetrazol-1-yl)butanamide
CID 13103341
4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide
CID 13103342
N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide
CID 13103343

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one (CID 13138442) is 1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one is Cc1nnnn1CCCC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one?
The InChIKey is HGUBAAUJWXFQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-10-12-13-14-17(10)5-3-4-11(18)16-8-6-15(2)7-9-16/h3-9H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one?
1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one has a molecular weight of 252.32 g/mol, XLogP of -0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one is sourced from PubChem (CID 13138442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).