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

C8H15N5O — CID 107062048

IUPAC6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one
SMILESCn1nnc(CC(=O)CCCCN)n1
InChIInChI=1S/C8H15N5O/c1-13-11-8(10-12-13)6-7(14)4-2-3-5-9/h2-6,9H2,1H3
InChIKeyRXFYFVSFGALHHY-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.55
Rot. Bonds6

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

6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one (PubChem CID 107062048) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one.

Molecular Properties

Compound Name6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one
PubChem CID107062048
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one
SMILESCn1nnc(CC(=O)CCCCN)n1
InChIInChI=1S/C8H15N5O/c1-13-11-8(10-12-13)6-7(14)4-2-3-5-9/h2-6,9H2,1H3
InChIKeyRXFYFVSFGALHHY-UHFFFAOYSA-N
XLogP-0.55
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one
CID 107062124
6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062534
4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061833
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
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-tert-butylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047104
4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107063228
3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine
CID 107041756
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

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one?
The IUPAC name of 6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one (CID 107062048) is 6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one.
What is the SMILES notation for 6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one?
The canonical SMILES for 6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one is Cn1nnc(CC(=O)CCCCN)n1.
What is the InChIKey of 6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one?
The InChIKey is RXFYFVSFGALHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-13-11-8(10-12-13)6-7(14)4-2-3-5-9/h2-6,9H2,1H3.
What are the key properties of 6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one?
6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one has a molecular weight of 197.24 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one is sourced from PubChem (CID 107062048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).