3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one

C12H20N4O — CID 116558471

IUPAC3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
SMILESCCCn1ncnc1CC(=O)C(C)(N)C1CC1
InChIInChI=1S/C12H20N4O/c1-3-6-16-11(14-8-15-16)7-10(17)12(2,13)9-4-5-9/h8-9H,3-7,13H2,1-2H3
InChIKeyXLSXCOWCHACYTB-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.93
Rot. Bonds6

About 3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one

3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one (PubChem CID 116558471) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
PubChem CID116558471
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
SMILESCCCn1ncnc1CC(=O)C(C)(N)C1CC1
InChIInChI=1S/C12H20N4O/c1-3-6-16-11(14-8-15-16)7-10(17)12(2,13)9-4-5-9/h8-9H,3-7,13H2,1-2H3
InChIKeyXLSXCOWCHACYTB-UHFFFAOYSA-N
XLogP0.93
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-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

3-amino-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-one
CID 116557013
3-(aminomethyl)-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-one
CID 116610858
3-methyl-3-(methylamino)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
CID 116566382
1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
CID 103455915
1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 116587159
1-(1,1-dioxothiolan-3-yl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
CID 105112040
3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)but-3-en-2-one
CID 103446445
1-(3-ethyl-1,4-dithian-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 113299349
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
1-(2-propyl-1,2,4-triazol-3-yl)heptan-2-one
CID 115779985
(E)-1-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-2-one
CID 103453420
2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one
CID 114668636

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one?
The IUPAC name of 3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one (CID 116558471) is 3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one.
What is the SMILES notation for 3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one?
The canonical SMILES for 3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one is CCCn1ncnc1CC(=O)C(C)(N)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one?
The InChIKey is XLSXCOWCHACYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-6-16-11(14-8-15-16)7-10(17)12(2,13)9-4-5-9/h8-9H,3-7,13H2,1-2H3.
What are the key properties of 3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one?
3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one is sourced from PubChem (CID 116558471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).