(4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C18H20N6O — CID 118471499

IUPAC(4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1ccnc(C(=O)N2CCCC(c3cc(C)nc4ncnn34)C2)c1
InChIInChI=1S/C18H20N6O/c1-12-5-6-19-15(8-12)17(25)23-7-3-4-14(10-23)16-9-13(2)22-18-20-11-21-24(16)18/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3
InChIKeyVPROYFOMPZWLFN-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.16
Rot. Bonds2

About (4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

(4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118471499) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is (4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118471499
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name(4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1ccnc(C(=O)N2CCCC(c3cc(C)nc4ncnn34)C2)c1
InChIInChI=1S/C18H20N6O/c1-12-5-6-19-15(8-12)17(25)23-7-3-4-14(10-23)16-9-13(2)22-18-20-11-21-24(16)18/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3
InChIKeyVPROYFOMPZWLFN-UHFFFAOYSA-N
XLogP2.16
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118471499) is (4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1ccnc(C(=O)N2CCCC(c3cc(C)nc4ncnn34)C2)c1.
What is the InChIKey of (4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is VPROYFOMPZWLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-5-6-19-15(8-12)17(25)23-7-3-4-14(10-23)16-9-13(2)22-18-20-11-21-24(16)18/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3.
What are the key properties of (4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridinyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118471499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).