N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline

C14H18N4 — CID 53264447

IUPACN-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NCCc2nc(C3CC3)n[nH]2)cc1
InChIInChI=1S/C14H18N4/c1-10-2-6-12(7-3-10)15-9-8-13-16-14(18-17-13)11-4-5-11/h2-3,6-7,11,15H,4-5,8-9H2,1H3,(H,16,17,18)
InChIKeyFAFUYFWYFOGMJQ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.65
Rot. Bonds5

About N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline

N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline (PubChem CID 53264447) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline
PubChem CID53264447
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NCCc2nc(C3CC3)n[nH]2)cc1
InChIInChI=1S/C14H18N4/c1-10-2-6-12(7-3-10)15-9-8-13-16-14(18-17-13)11-4-5-11/h2-3,6-7,11,15H,4-5,8-9H2,1H3,(H,16,17,18)
InChIKeyFAFUYFWYFOGMJQ-UHFFFAOYSA-N
XLogP2.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline?
The IUPAC name of N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline (CID 53264447) is N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline.
What is the SMILES notation for N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline?
The canonical SMILES for N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline is Cc1ccc(NCCc2nc(C3CC3)n[nH]2)cc1.
What is the InChIKey of N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline?
The InChIKey is FAFUYFWYFOGMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-2-6-12(7-3-10)15-9-8-13-16-14(18-17-13)11-4-5-11/h2-3,6-7,11,15H,4-5,8-9H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline?
N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline has a molecular weight of 242.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline is sourced from PubChem (CID 53264447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).