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

C15H22N6 — CID 102799542

IUPAC[3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCc1cccnc1-c1nc(N2CCCC(C)(CN)C2)n[nH]1
InChIInChI=1S/C15H22N6/c1-11-5-3-7-17-12(11)13-18-14(20-19-13)21-8-4-6-15(2,9-16)10-21/h3,5,7H,4,6,8-10,16H2,1-2H3,(H,18,19,20)
InChIKeyIYDGZKZMIWQUJD-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.74
Rot. Bonds3

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

[3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (PubChem CID 102799542) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is [3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
PubChem CID102799542
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name[3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCc1cccnc1-c1nc(N2CCCC(C)(CN)C2)n[nH]1
InChIInChI=1S/C15H22N6/c1-11-5-3-7-17-12(11)13-18-14(20-19-13)21-8-4-6-15(2,9-16)10-21/h3,5,7H,4,6,8-10,16H2,1-2H3,(H,18,19,20)
InChIKeyIYDGZKZMIWQUJD-UHFFFAOYSA-N
XLogP1.74
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methyl-1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799486
[1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
CID 102799405
[1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800753
[1-[5-(5-chloro-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
CID 102799577
[3-methyl-1-[5-(5-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799440
[1-[5-(2-chlorofuran-3-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
CID 106683947
[1-[5-(3-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
CID 102799525
[3-methyl-1-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799408
[3-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799576
[4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800830
[1-[5-(3-bromo-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 107517334
[3-methyl-1-[5-(5-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799581

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (CID 102799542) is [3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is Cc1cccnc1-c1nc(N2CCCC(C)(CN)C2)n[nH]1.
What is the InChIKey of [3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The InChIKey is IYDGZKZMIWQUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-11-5-3-7-17-12(11)13-18-14(20-19-13)21-8-4-6-15(2,9-16)10-21/h3,5,7H,4,6,8-10,16H2,1-2H3,(H,18,19,20).
What are the key properties of [3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
[3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 102799542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).