4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine

C16H24N8O — CID 163349088

IUPAC4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCn1ncnc1CN1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H24N8O/c1-21-15(18-13-19-21)12-22-4-6-23(7-5-22)14-2-3-17-16(20-14)24-8-10-25-11-9-24/h2-3,13H,4-12H2,1H3
InChIKeyKSGJPSKDGUTPBS-UHFFFAOYSA-N
MW344.42 g/mol
LogP-0.24
Rot. Bonds4

About 4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 163349088) has the molecular formula C16H24N8O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID163349088
Molecular FormulaC16H24N8O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC Name4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCn1ncnc1CN1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H24N8O/c1-21-15(18-13-19-21)12-22-4-6-23(7-5-22)14-2-3-17-16(20-14)24-8-10-25-11-9-24/h2-3,13H,4-12H2,1H3
InChIKeyKSGJPSKDGUTPBS-UHFFFAOYSA-N
XLogP-0.24
TPSA75.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

2-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 163345596
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575674
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171995870
4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575832
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 112886405
4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604793

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (CID 163349088) is 4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is Cn1ncnc1CN1CCN(c2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is KSGJPSKDGUTPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8O/c1-21-15(18-13-19-21)12-22-4-6-23(7-5-22)14-2-3-17-16(20-14)24-8-10-25-11-9-24/h2-3,13H,4-12H2,1H3.
What are the key properties of 4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 344.42 g/mol, XLogP of -0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 163349088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).