4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C15H21N7O2 — CID 58507764

IUPAC4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCn1cc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C15H21N7O2/c1-20-11-12(10-16-20)13-17-14(21-2-6-23-7-3-21)19-15(18-13)22-4-8-24-9-5-22/h10-11H,2-9H2,1H3
InChIKeyGQMVEVGDQURVKC-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.05
Rot. Bonds3

About 4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 58507764) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID58507764
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCn1cc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C15H21N7O2/c1-20-11-12(10-16-20)13-17-14(21-2-6-23-7-3-21)19-15(18-13)22-4-8-24-9-5-22/h10-11H,2-9H2,1H3
InChIKeyGQMVEVGDQURVKC-UHFFFAOYSA-N
XLogP-0.05
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 58507764) is 4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is Cn1cc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is GQMVEVGDQURVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-20-11-12(10-16-20)13-17-14(21-2-6-23-7-3-21)19-15(18-13)22-4-8-24-9-5-22/h10-11H,2-9H2,1H3.
What are the key properties of 4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 331.38 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 58507764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).