1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine

C28H40N12O2 — CID 157223100

IUPAC1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine
SMILESCc1cc(OC2CCN(c3nc(N)n(C)n3)CC2)ccn1.Cc1cc(OC2CCN(c3nc(N)nn3C)CC2)ccn1
InChIInChI=1S/2C14H20N6O/c1-10-9-12(3-6-16-10)21-11-4-7-20(8-5-11)14-17-13(15)19(2)18-14;1-10-9-12(3-6-16-10)21-11-4-7-20(8-5-11)14-17-13(15)18-19(14)2/h3,6,9,11H,4-5,7-8H2,1-2H3,(H2,15,17,18);3,6,9,11H,4-5,7-8H2,1-2H3,(H2,15,18)
InChIKeyATFNZWXUDWPJON-UHFFFAOYSA-N
MW576.71 g/mol
LogP2.30
Rot. Bonds6

About 1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine

1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine (PubChem CID 157223100) has the molecular formula C28H40N12O2 and a molecular weight of 576.71 g/mol. Its IUPAC name is 1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine
PubChem CID157223100
Molecular FormulaC28H40N12O2
Molecular Weight576.71 g/mol
Exact Mass576.34
IUPAC Name1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine
SMILESCc1cc(OC2CCN(c3nc(N)n(C)n3)CC2)ccn1.Cc1cc(OC2CCN(c3nc(N)nn3C)CC2)ccn1
InChIInChI=1S/2C14H20N6O/c1-10-9-12(3-6-16-10)21-11-4-7-20(8-5-11)14-17-13(15)19(2)18-14;1-10-9-12(3-6-16-10)21-11-4-7-20(8-5-11)14-17-13(15)18-19(14)2/h3,6,9,11H,4-5,7-8H2,1-2H3,(H2,15,17,18);3,6,9,11H,4-5,7-8H2,1-2H3,(H2,15,18)
InChIKeyATFNZWXUDWPJON-UHFFFAOYSA-N
XLogP2.30
TPSA164.18 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.71
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine (CID 157223100) is 1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine is Cc1cc(OC2CCN(c3nc(N)n(C)n3)CC2)ccn1.Cc1cc(OC2CCN(c3nc(N)nn3C)CC2)ccn1.
What is the InChIKey of 1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine?
The InChIKey is ATFNZWXUDWPJON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H20N6O/c1-10-9-12(3-6-16-10)21-11-4-7-20(8-5-11)14-17-13(15)19(2)18-14;1-10-9-12(3-6-16-10)21-11-4-7-20(8-5-11)14-17-13(15)18-19(14)2/h3,6,9,11H,4-5,7-8H2,1-2H3,(H2,15,17,18);3,6,9,11H,4-5,7-8H2,1-2H3,(H2,15,18).
What are the key properties of 1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine?
1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine has a molecular weight of 576.71 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine;2-methyl-5-[4-[(2-methyl-4-pyridinyl)oxy]piperidin-1-yl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 157223100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).