6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one

C9H17N5O — CID 107062534

IUPAC6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
SMILESCC(CCCN)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5O/c1-7(4-3-5-10)8(15)6-9-11-13-14(2)12-9/h7H,3-6,10H2,1-2H3
InChIKeyZNHRREHNFMHVRT-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.30
Rot. Bonds6

About 6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one

6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one (PubChem CID 107062534) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
PubChem CID107062534
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
SMILESCC(CCCN)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5O/c1-7(4-3-5-10)8(15)6-9-11-13-14(2)12-9/h7H,3-6,10H2,1-2H3
InChIKeyZNHRREHNFMHVRT-UHFFFAOYSA-N
XLogP-0.30
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062048
3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one
CID 107061843
1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one
CID 107063530
3-amino-5-methylsulfonyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061779
4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061833
5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one
CID 107062124
methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate
CID 107042301
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047263
7-amino-2,4-dimethylheptan-3-one
CID 116613359
6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one
CID 116613650
5-(4-chloropentyl)-2-methyltetrazole
CID 107055052

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one?
The IUPAC name of 6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one (CID 107062534) is 6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one.
What is the SMILES notation for 6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one?
The canonical SMILES for 6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one is CC(CCCN)C(=O)Cc1nnn(C)n1.
What is the InChIKey of 6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one?
The InChIKey is ZNHRREHNFMHVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7(4-3-5-10)8(15)6-9-11-13-14(2)12-9/h7H,3-6,10H2,1-2H3.
What are the key properties of 6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one?
6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one has a molecular weight of 211.27 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one is sourced from PubChem (CID 107062534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).