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

C9H17N5O — CID 107062040

IUPAC5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
SMILESCn1nnc(CC(=O)CCC(C)(C)N)n1
InChIInChI=1S/C9H17N5O/c1-9(2,10)5-4-7(15)6-8-11-13-14(3)12-8/h4-6,10H2,1-3H3
InChIKeyTZKJAMVLKPZWRB-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.16
Rot. Bonds5

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

5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one (PubChem CID 107062040) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one.

Molecular Properties

Compound Name5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
PubChem CID107062040
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
SMILESCn1nnc(CC(=O)CCC(C)(C)N)n1
InChIInChI=1S/C9H17N5O/c1-9(2,10)5-4-7(15)6-8-11-13-14(3)12-8/h4-6,10H2,1-3H3
InChIKeyTZKJAMVLKPZWRB-UHFFFAOYSA-N
XLogP-0.16
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one?
The IUPAC name of 5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one (CID 107062040) is 5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one.
What is the SMILES notation for 5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one?
The canonical SMILES for 5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one is Cn1nnc(CC(=O)CCC(C)(C)N)n1.
What is the InChIKey of 5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one?
The InChIKey is TZKJAMVLKPZWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-9(2,10)5-4-7(15)6-8-11-13-14(3)12-8/h4-6,10H2,1-3H3.
What are the key properties of 5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one?
5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one has a molecular weight of 211.27 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one is sourced from PubChem (CID 107062040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).