4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine

C18H29N7O — CID 53202358

IUPAC4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCCCN1CCN(Cc2nc3nc(C)cc(N4CCOCC4)n3n2)CC1
InChIInChI=1S/C18H29N7O/c1-3-4-22-5-7-23(8-6-22)14-16-20-18-19-15(2)13-17(25(18)21-16)24-9-11-26-12-10-24/h13H,3-12,14H2,1-2H3
InChIKeyANCKYGIEWZHZBI-UHFFFAOYSA-N
MW359.48 g/mol
LogP0.80
Rot. Bonds5

About 4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 53202358) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID53202358
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCCCN1CCN(Cc2nc3nc(C)cc(N4CCOCC4)n3n2)CC1
InChIInChI=1S/C18H29N7O/c1-3-4-22-5-7-23(8-6-22)14-16-20-18-19-15(2)13-17(25(18)21-16)24-9-11-26-12-10-24/h13H,3-12,14H2,1-2H3
InChIKeyANCKYGIEWZHZBI-UHFFFAOYSA-N
XLogP0.80
TPSA62.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 53202358) is 4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is CCCN1CCN(Cc2nc3nc(C)cc(N4CCOCC4)n3n2)CC1.
What is the InChIKey of 4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is ANCKYGIEWZHZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-3-4-22-5-7-23(8-6-22)14-16-20-18-19-15(2)13-17(25(18)21-16)24-9-11-26-12-10-24/h13H,3-12,14H2,1-2H3.
What are the key properties of 4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 359.48 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 53202358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).