4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine

C9H16N4O — CID 177158825

IUPAC4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCCN1CCOC(c2nncn2C)C1
InChIInChI=1S/C9H16N4O/c1-3-13-4-5-14-8(6-13)9-11-10-7-12(9)2/h7-8H,3-6H2,1-2H3
InChIKeyNVNWSYBJNQFAEH-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.21
Rot. Bonds2

About 4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine

4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 177158825) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID177158825
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCCN1CCOC(c2nncn2C)C1
InChIInChI=1S/C9H16N4O/c1-3-13-4-5-14-8(6-13)9-11-10-7-12(9)2/h7-8H,3-6H2,1-2H3
InChIKeyNVNWSYBJNQFAEH-UHFFFAOYSA-N
XLogP0.21
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 164637436
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CID 178823555
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CID 3585966
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CID 62691768
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CID 95750736
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CID 95750737

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (CID 177158825) is 4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is CCN1CCOC(c2nncn2C)C1.
What is the InChIKey of 4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is NVNWSYBJNQFAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-13-4-5-14-8(6-13)9-11-10-7-12(9)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 196.25 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 177158825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).