2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline

C13H16N4 — CID 62721614

IUPAC2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline
SMILESCc1cccc(-c2nc(C3CC3)nn2C)c1N
InChIInChI=1S/C13H16N4/c1-8-4-3-5-10(11(8)14)13-15-12(9-6-7-9)16-17(13)2/h3-5,9H,6-7,14H2,1-2H3
InChIKeyAGCRNMQKIDSNTB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.25
Rot. Bonds2

About 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline

2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline (PubChem CID 62721614) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline.

Molecular Properties

Compound Name2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline
PubChem CID62721614
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline
SMILESCc1cccc(-c2nc(C3CC3)nn2C)c1N
InChIInChI=1S/C13H16N4/c1-8-4-3-5-10(11(8)14)13-15-12(9-6-7-9)16-17(13)2/h3-5,9H,6-7,14H2,1-2H3
InChIKeyAGCRNMQKIDSNTB-UHFFFAOYSA-N
XLogP2.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.25
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

3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine
CID 62720537
4-chloro-3-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62722900
2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline
CID 62694901
5-chloro-2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62722189
5-chloro-2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62721470
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-3,6-dimethylbenzoic acid
CID 103431013
2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-6-methylaniline
CID 86820110
5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
CID 55111608
2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-5-nitroaniline
CID 63110959
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine
CID 62721642
2-cyclopropyl-7-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 86820080
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline
CID 60785396

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline?
The IUPAC name of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline (CID 62721614) is 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline.
What is the SMILES notation for 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline?
The canonical SMILES for 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline is Cc1cccc(-c2nc(C3CC3)nn2C)c1N.
What is the InChIKey of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline?
The InChIKey is AGCRNMQKIDSNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-4-3-5-10(11(8)14)13-15-12(9-6-7-9)16-17(13)2/h3-5,9H,6-7,14H2,1-2H3.
What are the key properties of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline?
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline has a molecular weight of 228.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline is sourced from PubChem (CID 62721614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).