4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one

C12H20N4O — CID 116559456

IUPAC4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
SMILESCC(C)n1ncnc1CC(=O)CCNC1CC1
InChIInChI=1S/C12H20N4O/c1-9(2)16-12(14-8-15-16)7-11(17)5-6-13-10-3-4-10/h8-10,13H,3-7H2,1-2H3
InChIKeyNUXXBPQWYVPVIN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.11
Rot. Bonds7

About 4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one

4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one (PubChem CID 116559456) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
PubChem CID116559456
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
SMILESCC(C)n1ncnc1CC(=O)CCNC1CC1
InChIInChI=1S/C12H20N4O/c1-9(2)16-12(14-8-15-16)7-11(17)5-6-13-10-3-4-10/h8-10,13H,3-7H2,1-2H3
InChIKeyNUXXBPQWYVPVIN-UHFFFAOYSA-N
XLogP1.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(cyclopropylamino)-1-(2-propan-2-yl-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

1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 116591674
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 114981433
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 114981552
1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(prop-2-ynylamino)propan-2-one
CID 116589636
N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine
CID 114899121
1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146999
4-methoxy-4-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-one
CID 103023319
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanone
CID 116568448
1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 79493427
2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 81009190
1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 116597015
3-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pent-3-en-2-one
CID 103447395

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one?
The IUPAC name of 4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one (CID 116559456) is 4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one.
What is the SMILES notation for 4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one?
The canonical SMILES for 4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one is CC(C)n1ncnc1CC(=O)CCNC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one?
The InChIKey is NUXXBPQWYVPVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)16-12(14-8-15-16)7-11(17)5-6-13-10-3-4-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one?
4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one has a molecular weight of 236.32 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one is sourced from PubChem (CID 116559456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).