2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone

C7H13N5O — CID 84659057

IUPAC2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone
SMILESCNCC(=O)c1nnn(C(C)C)n1
InChIInChI=1S/C7H13N5O/c1-5(2)12-10-7(9-11-12)6(13)4-8-3/h5,8H,4H2,1-3H3
InChIKeyRBMXOTNAMNTRNK-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.34
Rot. Bonds4

About 2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone

2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone (PubChem CID 84659057) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone
PubChem CID84659057
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone
SMILESCNCC(=O)c1nnn(C(C)C)n1
InChIInChI=1S/C7H13N5O/c1-5(2)12-10-7(9-11-12)6(13)4-8-3/h5,8H,4H2,1-3H3
InChIKeyRBMXOTNAMNTRNK-UHFFFAOYSA-N
XLogP-0.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.34
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-propan-2-yltetrazol-5-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone (CID 84659057) is 2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone is CNCC(=O)c1nnn(C(C)C)n1.
What is the InChIKey of 2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone?
The InChIKey is RBMXOTNAMNTRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-5(2)12-10-7(9-11-12)6(13)4-8-3/h5,8H,4H2,1-3H3.
What are the key properties of 2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone?
2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone has a molecular weight of 183.21 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone is sourced from PubChem (CID 84659057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).