N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide

C20H24N8O3 — CID 170394743

IUPACN-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide
SMILESO=C(NC1CCC(Oc2nc(N3CCOCC3)cc3ncnn23)CC1)c1ncccn1
InChIInChI=1S/C20H24N8O3/c29-19(18-21-6-1-7-22-18)25-14-2-4-15(5-3-14)31-20-26-17(27-8-10-30-11-9-27)12-16-23-13-24-28(16)20/h1,6-7,12-15H,2-5,8-11H2,(H,25,29)
InChIKeyHPKHNPGTUJVKHX-UHFFFAOYSA-N
MW424.47 g/mol
LogP0.87
Rot. Bonds5

About N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide

N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide (PubChem CID 170394743) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide
PubChem CID170394743
Molecular FormulaC20H24N8O3
Molecular Weight424.47 g/mol
Exact Mass424.20
IUPAC NameN-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide
SMILESO=C(NC1CCC(Oc2nc(N3CCOCC3)cc3ncnn23)CC1)c1ncccn1
InChIInChI=1S/C20H24N8O3/c29-19(18-21-6-1-7-22-18)25-14-2-4-15(5-3-14)31-20-26-17(27-8-10-30-11-9-27)12-16-23-13-24-28(16)20/h1,6-7,12-15H,2-5,8-11H2,(H,25,29)
InChIKeyHPKHNPGTUJVKHX-UHFFFAOYSA-N
XLogP0.87
TPSA119.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide (CID 170394743) is N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide is O=C(NC1CCC(Oc2nc(N3CCOCC3)cc3ncnn23)CC1)c1ncccn1.
What is the InChIKey of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide?
The InChIKey is HPKHNPGTUJVKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3/c29-19(18-21-6-1-7-22-18)25-14-2-4-15(5-3-14)31-20-26-17(27-8-10-30-11-9-27)12-16-23-13-24-28(16)20/h1,6-7,12-15H,2-5,8-11H2,(H,25,29).
What are the key properties of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide?
N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 170394743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).