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

C6H11N5O — CID 107061804

IUPAC1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCNCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C6H11N5O/c1-7-4-5(12)3-6-8-10-11(2)9-6/h7H,3-4H2,1-2H3
InChIKeyLDXLNZBKBXFVNP-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.46
Rot. Bonds4

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

1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107061804) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107061804
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCNCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C6H11N5O/c1-7-4-5(12)3-6-8-10-11(2)9-6/h7H,3-4H2,1-2H3
InChIKeyLDXLNZBKBXFVNP-UHFFFAOYSA-N
XLogP-1.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 107062235
1-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-2-(methylamino)ethan-1-one
CID 84650138
2-(Methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone
CID 84659057
1-(2-Ethyltetrazol-5-yl)-2-(methylamino)ethanone
CID 84765547
3-Amino-1-(2-ethyltetrazol-5-yl)propan-1-one
CID 84765548
2-(Methylamino)-1-(2-propyltetrazol-5-yl)ethanone
CID 84769018
3-Amino-1-(2-propyltetrazol-5-yl)propan-1-one
CID 84769019
2-(Methylamino)-1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone
CID 84774382
1-(Dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047263
1-Amino-3-(2-methyl-2h-1,2,3,4-tetrazol-5-yl)propan-2-one
CID 107061738
4-Amino-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061764
1-(2-Methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one
CID 107061820

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107061804) is 1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one is CNCC(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is LDXLNZBKBXFVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-7-4-5(12)3-6-8-10-11(2)9-6/h7H,3-4H2,1-2H3.
What are the key properties of 1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one?
1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 169.19 g/mol, XLogP of -1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107061804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).