2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone

C8H15N5O — CID 84774382

IUPAC2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone
SMILESCNCC(=O)c1nnn(CC(C)C)n1
InChIInChI=1S/C8H15N5O/c1-6(2)5-13-11-8(10-12-13)7(14)4-9-3/h6,9H,4-5H2,1-3H3
InChIKeyFKIXRGZUBUHAED-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.27
Rot. Bonds5

About 2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone

2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone (PubChem CID 84774382) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone
PubChem CID84774382
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone
SMILESCNCC(=O)c1nnn(CC(C)C)n1
InChIInChI=1S/C8H15N5O/c1-6(2)5-13-11-8(10-12-13)7(14)4-9-3/h6,9H,4-5H2,1-3H3
InChIKeyFKIXRGZUBUHAED-UHFFFAOYSA-N
XLogP-0.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.27
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-(2-methylpropyl)tetrazol-5-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone (CID 84774382) is 2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone is CNCC(=O)c1nnn(CC(C)C)n1.
What is the InChIKey of 2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone?
The InChIKey is FKIXRGZUBUHAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-6(2)5-13-11-8(10-12-13)7(14)4-9-3/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone?
2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone has a molecular weight of 197.24 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone is sourced from PubChem (CID 84774382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).