N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C15H19N7 — CID 136569033

IUPACN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCn1cc(N2CCCC(Nc3cccc4nncn34)C2)cn1
InChIInChI=1S/C15H19N7/c1-20-10-13(8-17-20)21-7-3-4-12(9-21)18-14-5-2-6-15-19-16-11-22(14)15/h2,5-6,8,10-12,18H,3-4,7,9H2,1H3
InChIKeyZJCSLBLUILBNLA-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.54
Rot. Bonds3

About N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 136569033) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID136569033
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCn1cc(N2CCCC(Nc3cccc4nncn34)C2)cn1
InChIInChI=1S/C15H19N7/c1-20-10-13(8-17-20)21-7-3-4-12(9-21)18-14-5-2-6-15-19-16-11-22(14)15/h2,5-6,8,10-12,18H,3-4,7,9H2,1H3
InChIKeyZJCSLBLUILBNLA-UHFFFAOYSA-N
XLogP1.54
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 136569033) is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is Cn1cc(N2CCCC(Nc3cccc4nncn34)C2)cn1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is ZJCSLBLUILBNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-20-10-13(8-17-20)21-7-3-4-12(9-21)18-14-5-2-6-15-19-16-11-22(14)15/h2,5-6,8,10-12,18H,3-4,7,9H2,1H3.
What are the key properties of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 297.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 136569033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).