1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one

C11H20N4O — CID 107063530

IUPAC1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one
SMILESCCCC(CCC)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H20N4O/c1-4-6-9(7-5-2)10(16)8-11-12-14-15(3)13-11/h9H,4-8H2,1-3H3
InChIKeySPLNDTJNRSGXPV-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.54
Rot. Bonds7

About 1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one

1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one (PubChem CID 107063530) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one
PubChem CID107063530
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one
SMILESCCCC(CCC)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H20N4O/c1-4-6-9(7-5-2)10(16)8-11-12-14-15(3)13-11/h9H,4-8H2,1-3H3
InChIKeySPLNDTJNRSGXPV-UHFFFAOYSA-N
XLogP1.54
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one
CID 107061843
6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062534
3-amino-5-methylsulfonyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061779
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
1-ethylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047098
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
N-[(2-methyltetrazol-5-yl)methyl]octan-4-amine
CID 107167915
1-(2-methyltetrazol-5-yl)octan-2-ol
CID 107046019
N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide
CID 59768448
N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
CID 107052906

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one (CID 107063530) is 1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one is CCCC(CCC)C(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one?
The InChIKey is SPLNDTJNRSGXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-6-9(7-5-2)10(16)8-11-12-14-15(3)13-11/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one?
1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one has a molecular weight of 224.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one is sourced from PubChem (CID 107063530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).