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

C10H18N4O — CID 11672933

IUPAC4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine
SMILESCc1nncn1CCCN1CCOCC1
InChIInChI=1S/C10H18N4O/c1-10-12-11-9-14(10)4-2-3-13-5-7-15-8-6-13/h9H,2-8H2,1H3
InChIKeyOOHQEBPLRYOKFP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.31
Rot. Bonds4

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

4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine (PubChem CID 11672933) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine
PubChem CID11672933
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine
SMILESCc1nncn1CCCN1CCOCC1
InChIInChI=1S/C10H18N4O/c1-10-12-11-9-14(10)4-2-3-13-5-7-15-8-6-13/h9H,2-8H2,1H3
InChIKeyOOHQEBPLRYOKFP-UHFFFAOYSA-N
XLogP0.31
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine?
The IUPAC name of 4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine (CID 11672933) is 4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine is Cc1nncn1CCCN1CCOCC1.
What is the InChIKey of 4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine?
The InChIKey is OOHQEBPLRYOKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10-12-11-9-14(10)4-2-3-13-5-7-15-8-6-13/h9H,2-8H2,1H3.
What are the key properties of 4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine?
4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine has a molecular weight of 210.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methyl-1,2,4-triazol-4-yl)propyl]morpholine is sourced from PubChem (CID 11672933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).