2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one

C6H11N5O — CID 131007637

IUPAC2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCNC(C)C(=O)c1nnn(C)n1
InChIInChI=1S/C6H11N5O/c1-4(7-2)5(12)6-8-10-11(3)9-6/h4,7H,1-3H3
InChIKeyFEZYLPOOFNLXCA-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.00
Rot. Bonds3

About 2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one

2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one (PubChem CID 131007637) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one
PubChem CID131007637
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCNC(C)C(=O)c1nnn(C)n1
InChIInChI=1S/C6H11N5O/c1-4(7-2)5(12)6-8-10-11(3)9-6/h4,7H,1-3H3
InChIKeyFEZYLPOOFNLXCA-UHFFFAOYSA-N
XLogP-1.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one?
The IUPAC name of 2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one (CID 131007637) is 2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one is CNC(C)C(=O)c1nnn(C)n1.
What is the InChIKey of 2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one?
The InChIKey is FEZYLPOOFNLXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-4(7-2)5(12)6-8-10-11(3)9-6/h4,7H,1-3H3.
What are the key properties of 2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one?
2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one has a molecular weight of 169.19 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 131007637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).