4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline

C14H20N4 — CID 115825903

IUPAC4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
SMILESCCc1nc(C(C)(C)c2ccc(N)cc2)n(C)n1
InChIInChI=1S/C14H20N4/c1-5-12-16-13(18(4)17-12)14(2,3)10-6-8-11(15)9-7-10/h6-9H,5,15H2,1-4H3
InChIKeyHCSPWWWSILZATF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.29
Rot. Bonds3

About 4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline

4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline (PubChem CID 115825903) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
PubChem CID115825903
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
SMILESCCc1nc(C(C)(C)c2ccc(N)cc2)n(C)n1
InChIInChI=1S/C14H20N4/c1-5-12-16-13(18(4)17-12)14(2,3)10-6-8-11(15)9-7-10/h6-9H,5,15H2,1-4H3
InChIKeyHCSPWWWSILZATF-UHFFFAOYSA-N
XLogP2.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline
CID 115825905
4-[2-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-yl]aniline
CID 80549626
2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline
CID 62722488
ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate
CID 79471919
4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline
CID 160813980
2-[(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62722847
3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
CID 57264580
4-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62721082
4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline
CID 112713222
4-bromo-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62722487
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255
4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
CID 138517761

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline?
The IUPAC name of 4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline (CID 115825903) is 4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline.
What is the SMILES notation for 4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline?
The canonical SMILES for 4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline is CCc1nc(C(C)(C)c2ccc(N)cc2)n(C)n1.
What is the InChIKey of 4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline?
The InChIKey is HCSPWWWSILZATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-5-12-16-13(18(4)17-12)14(2,3)10-6-8-11(15)9-7-10/h6-9H,5,15H2,1-4H3.
What are the key properties of 4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline?
4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline has a molecular weight of 244.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline is sourced from PubChem (CID 115825903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).