1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine

C16H23N5 — CID 102800340

IUPAC1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
SMILESCCc1ccccc1-c1nc(N2CCC(NC)CC2)n[nH]1
InChIInChI=1S/C16H23N5/c1-3-12-6-4-5-7-14(12)15-18-16(20-19-15)21-10-8-13(17-2)9-11-21/h4-7,13,17H,3,8-11H2,1-2H3,(H,18,19,20)
InChIKeySTJGBDKAHVMFNS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.22
Rot. Bonds4

About 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine

1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine (PubChem CID 102800340) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
PubChem CID102800340
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
SMILESCCc1ccccc1-c1nc(N2CCC(NC)CC2)n[nH]1
InChIInChI=1S/C16H23N5/c1-3-12-6-4-5-7-14(12)15-18-16(20-19-15)21-10-8-13(17-2)9-11-21/h4-7,13,17H,3,8-11H2,1-2H3,(H,18,19,20)
InChIKeySTJGBDKAHVMFNS-UHFFFAOYSA-N
XLogP2.22
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794281
1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800246
1-[5-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800385
3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
CID 136678085
1-[5-(5-iodothiophen-3-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800470
3-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]benzonitrile
CID 102800422
[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102800344
1-[5-(3-bicyclo[3.1.0]hexanyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800438
1-[5-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 103400516
N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 114221763
N-methyl-1-(5-pentan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-amine
CID 102800420
1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793968

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine (CID 102800340) is 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine is CCc1ccccc1-c1nc(N2CCC(NC)CC2)n[nH]1.
What is the InChIKey of 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The InChIKey is STJGBDKAHVMFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-12-6-4-5-7-14(12)15-18-16(20-19-15)21-10-8-13(17-2)9-11-21/h4-7,13,17H,3,8-11H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 102800340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).