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

C15H22N4 — CID 115825905

IUPAC4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline
SMILESCC(C)c1nc(C(C)(C)c2ccc(N)cc2)n(C)n1
InChIInChI=1S/C15H22N4/c1-10(2)13-17-14(19(5)18-13)15(3,4)11-6-8-12(16)9-7-11/h6-10H,16H2,1-5H3
InChIKeyMQEXGIQRSLBHGO-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.85
Rot. Bonds3

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

4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline (PubChem CID 115825905) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline
PubChem CID115825905
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline
SMILESCC(C)c1nc(C(C)(C)c2ccc(N)cc2)n(C)n1
InChIInChI=1S/C15H22N4/c1-10(2)13-17-14(19(5)18-13)15(3,4)11-6-8-12(16)9-7-11/h6-10H,16H2,1-5H3
InChIKeyMQEXGIQRSLBHGO-UHFFFAOYSA-N
XLogP2.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.85
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-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
CID 115825903
4-[2-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-yl]aniline
CID 80549626
4-fluoro-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 62720704
3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5-(trifluoromethyl)aniline
CID 62721430
2-[2-(4-aminophenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 82548154
5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 63154330
3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
CID 57264580
[2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 96668709
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-[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-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline?
The IUPAC name of 4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline (CID 115825905) is 4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline.
What is the SMILES notation for 4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline?
The canonical SMILES for 4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline is CC(C)c1nc(C(C)(C)c2ccc(N)cc2)n(C)n1.
What is the InChIKey of 4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline?
The InChIKey is MQEXGIQRSLBHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10(2)13-17-14(19(5)18-13)15(3,4)11-6-8-12(16)9-7-11/h6-10H,16H2,1-5H3.
What are the key properties of 4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline?
4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline has a molecular weight of 258.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]aniline is sourced from PubChem (CID 115825905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).