4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C16H23N5 — CID 102798846

IUPAC4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCc1cccc(Cc2nc(N3CCC(C)C(N)C3)n[nH]2)c1
InChIInChI=1S/C16H23N5/c1-11-4-3-5-13(8-11)9-15-18-16(20-19-15)21-7-6-12(2)14(17)10-21/h3-5,8,12,14H,6-7,9-10,17H2,1-2H3,(H,18,19,20)
InChIKeyCKTIRZUENUWSLM-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.88
Rot. Bonds3

About 4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine

4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102798846) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102798846
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCc1cccc(Cc2nc(N3CCC(C)C(N)C3)n[nH]2)c1
InChIInChI=1S/C16H23N5/c1-11-4-3-5-13(8-11)9-15-18-16(20-19-15)21-7-6-12(2)14(17)10-21/h3-5,8,12,14H,6-7,9-10,17H2,1-2H3,(H,18,19,20)
InChIKeyCKTIRZUENUWSLM-UHFFFAOYSA-N
XLogP1.88
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102799010
1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798984
4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102799068
1-[5-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793046
1-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793350
1-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797400
[1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800552
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798903
4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 106752830
1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793886
1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798910
4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-3-fluorophenol
CID 136751524

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102798846) is 4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine is Cc1cccc(Cc2nc(N3CCC(C)C(N)C3)n[nH]2)c1.
What is the InChIKey of 4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is CKTIRZUENUWSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-4-3-5-13(8-11)9-15-18-16(20-19-15)21-7-6-12(2)14(17)10-21/h3-5,8,12,14H,6-7,9-10,17H2,1-2H3,(H,18,19,20).
What are the key properties of 4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102798846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).