N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C16H19N7 — CID 141318206

IUPACN-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3nc4ccccn4n3)CC2)ncn1
InChIInChI=1S/C16H19N7/c1-12-10-15(18-11-17-12)22-8-5-13(6-9-22)19-16-20-14-4-2-3-7-23(14)21-16/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,19,21)
InChIKeyNSWWPAKNECHZBJ-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.91
Rot. Bonds3

About N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 141318206) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID141318206
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3nc4ccccn4n3)CC2)ncn1
InChIInChI=1S/C16H19N7/c1-12-10-15(18-11-17-12)22-8-5-13(6-9-22)19-16-20-14-4-2-3-7-23(14)21-16/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,19,21)
InChIKeyNSWWPAKNECHZBJ-UHFFFAOYSA-N
XLogP1.91
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 141318206) is N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(N2CCC(Nc3nc4ccccn4n3)CC2)ncn1.
What is the InChIKey of N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is NSWWPAKNECHZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-12-10-15(18-11-17-12)22-8-5-13(6-9-22)19-16-20-14-4-2-3-7-23(14)21-16/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,19,21).
What are the key properties of N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 309.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 141318206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).