4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide

C12H21N5O — CID 66192832

IUPAC4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1cc(CNC2CC2)nn1
InChIInChI=1S/C12H21N5O/c1-16(2)12(18)4-3-7-17-9-11(14-15-17)8-13-10-5-6-10/h9-10,13H,3-8H2,1-2H3
InChIKeyDHESIGBAIRSWTK-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.40
Rot. Bonds7

About 4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide

4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide (PubChem CID 66192832) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide
PubChem CID66192832
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1cc(CNC2CC2)nn1
InChIInChI=1S/C12H21N5O/c1-16(2)12(18)4-3-7-17-9-11(14-15-17)8-13-10-5-6-10/h9-10,13H,3-8H2,1-2H3
InChIKeyDHESIGBAIRSWTK-UHFFFAOYSA-N
XLogP0.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
N,N-dimethyl-4-[4-(propylaminomethyl)triazol-1-yl]butanamide
CID 66193355
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433
N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62418703
5-[1-[4-(dimethylamino)-4-oxobutyl]triazol-4-yl]pentanoic acid
CID 104538857
3-[4-[[(1,1-dioxothian-4-yl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66268350
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide
CID 66193582
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121
N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine
CID 82753893
4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide
CID 66214983
2-[4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]piperidin-1-yl]-N-methylacetamide
CID 66269796
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide (CID 66192832) is 4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide is CN(C)C(=O)CCCn1cc(CNC2CC2)nn1.
What is the InChIKey of 4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide?
The InChIKey is DHESIGBAIRSWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-16(2)12(18)4-3-7-17-9-11(14-15-17)8-13-10-5-6-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide?
4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 66192832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).