[4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine

C15H22N6 — CID 102800830

IUPAC[4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCc1cccc(-c2nc(N3CCC(C)(CN)CC3)n[nH]2)n1
InChIInChI=1S/C15H22N6/c1-11-4-3-5-12(17-11)13-18-14(20-19-13)21-8-6-15(2,10-16)7-9-21/h3-5H,6-10,16H2,1-2H3,(H,18,19,20)
InChIKeyYVQVPMVATAEHTI-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.74
Rot. Bonds3

About [4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine

[4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (PubChem CID 102800830) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is [4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
PubChem CID102800830
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name[4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCc1cccc(-c2nc(N3CCC(C)(CN)CC3)n[nH]2)n1
InChIInChI=1S/C15H22N6/c1-11-4-3-5-12(17-11)13-18-14(20-19-13)21-8-6-15(2,10-16)7-9-21/h3-5H,6-10,16H2,1-2H3,(H,18,19,20)
InChIKeyYVQVPMVATAEHTI-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

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The IUPAC name of [4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (CID 102800830) is [4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is Cc1cccc(-c2nc(N3CCC(C)(CN)CC3)n[nH]2)n1.
What is the InChIKey of [4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The InChIKey is YVQVPMVATAEHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-11-4-3-5-12(17-11)13-18-14(20-19-13)21-8-6-15(2,10-16)7-9-21/h3-5H,6-10,16H2,1-2H3,(H,18,19,20).
What are the key properties of [4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
[4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-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 [4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 102800830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).