4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline

C14H20N4 — CID 141055076

IUPAC4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline
SMILESCCCCc1ncn(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C14H20N4/c1-4-5-6-14-15-11-18(16-14)13-9-7-12(8-10-13)17(2)3/h7-11H,4-6H2,1-3H3
InChIKeyPZXXFONMUSALDU-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.68
Rot. Bonds5

About 4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline

4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline (PubChem CID 141055076) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline
PubChem CID141055076
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline
SMILESCCCCc1ncn(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C14H20N4/c1-4-5-6-14-15-11-18(16-14)13-9-7-12(8-10-13)17(2)3/h7-11H,4-6H2,1-3H3
InChIKeyPZXXFONMUSALDU-UHFFFAOYSA-N
XLogP2.68
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole
CID 91159572
3-butyl-1-chloro-1,2,4-triazole
CID 169084532
5-butyl-1-[4-(dimethylamino)phenyl]pyrazole-3-carboxylic acid
CID 82361852
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 58324079
4-heptyl-N,N-dimethylaniline
CID 20777180
N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine
CID 106562661
N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine
CID 159936567
3-butyl-4-[4-(dimethylamino)phenyl]cyclobut-3-ene-1,2-dione
CID 142008692
3-butyl-1,2,4-triazole-1-carboxamide
CID 150268150
4-hexoxy-N,N-dimethylaniline
CID 19782341
3-[1-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]propanoyl chloride
CID 58775734
N,N-dimethylpyridin-4-amine;octane;dihydrobromide
CID 174752520

Frequently Asked Questions

What is the IUPAC name of 4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline (CID 141055076) is 4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline is CCCCc1ncn(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline?
The InChIKey is PZXXFONMUSALDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-5-6-14-15-11-18(16-14)13-9-7-12(8-10-13)17(2)3/h7-11H,4-6H2,1-3H3.
What are the key properties of 4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline?
4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline has a molecular weight of 244.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 141055076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).