[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone

C22H26N6O — CID 78799878

IUPAC[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1)N1CCCCC1
InChIInChI=1S/C22H26N6O/c29-21(27-11-5-2-6-12-27)18-9-13-26(14-10-18)20-15-19(17-7-3-1-4-8-17)25-22-23-16-24-28(20)22/h1,3-4,7-8,15-16,18H,2,5-6,9-14H2
InChIKeyYWKXOIDDPGAUBB-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.02
Rot. Bonds3

About [1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 78799878) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is [1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID78799878
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1)N1CCCCC1
InChIInChI=1S/C22H26N6O/c29-21(27-11-5-2-6-12-27)18-9-13-26(14-10-18)20-15-19(17-7-3-1-4-8-17)25-22-23-16-24-28(20)22/h1,3-4,7-8,15-16,18H,2,5-6,9-14H2
InChIKeyYWKXOIDDPGAUBB-UHFFFAOYSA-N
XLogP3.02
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 78799878) is [1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1)N1CCCCC1.
What is the InChIKey of [1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is YWKXOIDDPGAUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c29-21(27-11-5-2-6-12-27)18-9-13-26(14-10-18)20-15-19(17-7-3-1-4-8-17)25-22-23-16-24-28(20)22/h1,3-4,7-8,15-16,18H,2,5-6,9-14H2.
What are the key properties of [1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 390.49 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 78799878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).