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

C19H31N7O — CID 53202376

IUPAC4-[5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2nc(CN3CCN(CC(C)C)CC3)nc2n1
InChIInChI=1S/C19H31N7O/c1-15(2)13-23-4-6-24(7-5-23)14-17-21-19-20-16(3)12-18(26(19)22-17)25-8-10-27-11-9-25/h12,15H,4-11,13-14H2,1-3H3
InChIKeyFPMOILIQYDAWLS-UHFFFAOYSA-N
MW373.51 g/mol
LogP1.04
Rot. Bonds5

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

4-[5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 53202376) has the molecular formula C19H31N7O and a molecular weight of 373.51 g/mol. Its IUPAC name is 4-[5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID53202376
Molecular FormulaC19H31N7O
Molecular Weight373.51 g/mol
Exact Mass373.26
IUPAC Name4-[5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2nc(CN3CCN(CC(C)C)CC3)nc2n1
InChIInChI=1S/C19H31N7O/c1-15(2)13-23-4-6-24(7-5-23)14-17-21-19-20-16(3)12-18(26(19)22-17)25-8-10-27-11-9-25/h12,15H,4-11,13-14H2,1-3H3
InChIKeyFPMOILIQYDAWLS-UHFFFAOYSA-N
XLogP1.04
TPSA62.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 51.04
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-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 53202376) is 4-[5-methyl-2-[[4-(2-methylpropyl)piperazin-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-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cc(N2CCOCC2)n2nc(CN3CCN(CC(C)C)CC3)nc2n1.
What is the InChIKey of 4-[5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is FPMOILIQYDAWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O/c1-15(2)13-23-4-6-24(7-5-23)14-17-21-19-20-16(3)12-18(26(19)22-17)25-8-10-27-11-9-25/h12,15H,4-11,13-14H2,1-3H3.
What are the key properties of 4-[5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 373.51 g/mol, XLogP of 1.04, 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-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 53202376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).