4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one

C10H19N5O — CID 107047259

IUPAC4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCCN(CC)CCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C10H19N5O/c1-4-15(5-2)7-6-9(16)8-10-11-13-14(3)12-10/h4-8H2,1-3H3
InChIKeyCNEFOSQVIBXFKM-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.05
Rot. Bonds7

About 4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one

4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one (PubChem CID 107047259) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
PubChem CID107047259
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCCN(CC)CCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C10H19N5O/c1-4-15(5-2)7-6-9(16)8-10-11-13-14(3)12-10/h4-8H2,1-3H3
InChIKeyCNEFOSQVIBXFKM-UHFFFAOYSA-N
XLogP0.05
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
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 4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one?
The IUPAC name of 4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one (CID 107047259) is 4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one.
What is the SMILES notation for 4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one?
The canonical SMILES for 4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one is CCN(CC)CCC(=O)Cc1nnn(C)n1.
What is the InChIKey of 4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one?
The InChIKey is CNEFOSQVIBXFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-4-15(5-2)7-6-9(16)8-10-11-13-14(3)12-10/h4-8H2,1-3H3.
What are the key properties of 4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one?
4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one has a molecular weight of 225.30 g/mol, XLogP of 0.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one is sourced from PubChem (CID 107047259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).