1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one

C7H13N5O — CID 107047263

IUPAC1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCN(C)CC(=O)Cc1nnn(C)n1
InChIInChI=1S/C7H13N5O/c1-11(2)5-6(13)4-7-8-10-12(3)9-7/h4-5H2,1-3H3
InChIKeyACNAOWNCWOCVDR-UHFFFAOYSA-N
MW183.22 g/mol
LogP-1.12
Rot. Bonds4

About 1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one

1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107047263) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107047263
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCN(C)CC(=O)Cc1nnn(C)n1
InChIInChI=1S/C7H13N5O/c1-11(2)5-6(13)4-7-8-10-12(3)9-7/h4-5H2,1-3H3
InChIKeyACNAOWNCWOCVDR-UHFFFAOYSA-N
XLogP-1.12
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
1-ethylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047098
4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061833
1-tert-butylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047104
6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062048
1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063454
1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062169
N,N-dimethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 910865
1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063602
1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one
CID 107063286

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107047263) is 1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one is CN(C)CC(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is ACNAOWNCWOCVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-11(2)5-6(13)4-7-8-10-12(3)9-7/h4-5H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one?
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 183.22 g/mol, XLogP of -1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107047263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).