4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine

C16H20N6O2 — CID 138387566

IUPAC4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine
SMILESCc1nc(-c2coc(CN3CCOCC3)c2)n(-c2cnn(C)c2)n1
InChIInChI=1S/C16H20N6O2/c1-12-18-16(22(19-12)14-8-17-20(2)9-14)13-7-15(24-11-13)10-21-3-5-23-6-4-21/h7-9,11H,3-6,10H2,1-2H3
InChIKeyITSDLFXFBSUGOA-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.40
Rot. Bonds4

About 4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine

4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine (PubChem CID 138387566) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine
PubChem CID138387566
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine
SMILESCc1nc(-c2coc(CN3CCOCC3)c2)n(-c2cnn(C)c2)n1
InChIInChI=1S/C16H20N6O2/c1-12-18-16(22(19-12)14-8-17-20(2)9-14)13-7-15(24-11-13)10-21-3-5-23-6-4-21/h7-9,11H,3-6,10H2,1-2H3
InChIKeyITSDLFXFBSUGOA-UHFFFAOYSA-N
XLogP1.40
TPSA74.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine (CID 138387566) is 4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine is Cc1nc(-c2coc(CN3CCOCC3)c2)n(-c2cnn(C)c2)n1.
What is the InChIKey of 4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine?
The InChIKey is ITSDLFXFBSUGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-12-18-16(22(19-12)14-8-17-20(2)9-14)13-7-15(24-11-13)10-21-3-5-23-6-4-21/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine?
4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine has a molecular weight of 328.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]furan-2-yl]methyl]morpholine is sourced from PubChem (CID 138387566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).