1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one

C7H10F3N5O — CID 107062235

IUPAC1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
SMILESCn1nnc(CC(=O)CNCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N5O/c1-15-13-6(12-14-15)2-5(16)3-11-4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyHSIUAHQTENVFOR-UHFFFAOYSA-N
MW237.18 g/mol
LogP-0.53
Rot. Bonds5

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

1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one (PubChem CID 107062235) has the molecular formula C7H10F3N5O and a molecular weight of 237.18 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
PubChem CID107062235
Molecular FormulaC7H10F3N5O
Molecular Weight237.18 g/mol
Exact Mass237.08
IUPAC Name1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
SMILESCn1nnc(CC(=O)CNCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N5O/c1-15-13-6(12-14-15)2-5(16)3-11-4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyHSIUAHQTENVFOR-UHFFFAOYSA-N
XLogP-0.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061804
1-(2-Methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one
CID 107061820
1-(Cyclopropylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061823
1-(Butan-2-ylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061836
1-(Cyclopropylmethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061852
4-(Methylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061903
1-(Ethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061928
1-(2-Methyltetrazol-5-yl)-3-(propylamino)propan-2-one
CID 107061932
3-(Methylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061960
4-(Ethylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061971
1-(Tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062238
1-(2-Methyltetrazol-5-yl)-3-(prop-2-ynylamino)propan-2-one
CID 107062244

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one (CID 107062235) is 1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one is Cn1nnc(CC(=O)CNCC(F)(F)F)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The InChIKey is HSIUAHQTENVFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5O/c1-15-13-6(12-14-15)2-5(16)3-11-4-7(8,9)10/h11H,2-4H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one has a molecular weight of 237.18 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one is sourced from PubChem (CID 107062235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).