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

C7H13N5O — CID 130834256

IUPAC2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCNC(C)(C)C(=O)c1nnn(C)n1
InChIInChI=1S/C7H13N5O/c1-7(2,8-3)5(13)6-9-11-12(4)10-6/h8H,1-4H3
InChIKeyNSOZYTRPTMPSMS-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.61
Rot. Bonds3

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

2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one (PubChem CID 130834256) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one
PubChem CID130834256
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCNC(C)(C)C(=O)c1nnn(C)n1
InChIInChI=1S/C7H13N5O/c1-7(2,8-3)5(13)6-9-11-12(4)10-6/h8H,1-4H3
InChIKeyNSOZYTRPTMPSMS-UHFFFAOYSA-N
XLogP-0.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(2-Ethyltetrazol-5-yl)-2-(methylamino)ethanone
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2-(Methylamino)-1-(2-propyltetrazol-5-yl)ethanone
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2-(Methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone
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1-(Ethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061928
3-Methyl-3-(methylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061978
1-(Tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062238
Azetidin-3-yl-(2-methyltetrazol-5-yl)methanone
CID 130758273
[1-(Methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone
CID 130758288
2-(Methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one
CID 131007637
2-Methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)-2-(methylamino)propan-1-one
CID 164659206

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one?
The IUPAC name of 2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one (CID 130834256) is 2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one is CNC(C)(C)C(=O)c1nnn(C)n1.
What is the InChIKey of 2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one?
The InChIKey is NSOZYTRPTMPSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-7(2,8-3)5(13)6-9-11-12(4)10-6/h8H,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one?
2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one has a molecular weight of 183.21 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 130834256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).