2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile

C10H15N5O — CID 79669765

IUPAC2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile
SMILESCCN1CCOC(c2n[nH]c(CC#N)n2)C1
InChIInChI=1S/C10H15N5O/c1-2-15-5-6-16-8(7-15)10-12-9(3-4-11)13-14-10/h8H,2-3,5-7H2,1H3,(H,12,13,14)
InChIKeyFDKFAGJDIZNXTI-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.26
Rot. Bonds3

About 2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile

2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile (PubChem CID 79669765) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile
PubChem CID79669765
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile
SMILESCCN1CCOC(c2n[nH]c(CC#N)n2)C1
InChIInChI=1S/C10H15N5O/c1-2-15-5-6-16-8(7-15)10-12-9(3-4-11)13-14-10/h8H,2-3,5-7H2,1H3,(H,12,13,14)
InChIKeyFDKFAGJDIZNXTI-UHFFFAOYSA-N
XLogP0.26
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79669524
(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 96512338
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 71928113
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 96997028
[3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600443
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71872375
2-(4,6-dichloropyrimidin-2-yl)-4-ethylmorpholine
CID 79666573
5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897248
(2S)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 96512465
4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928045
1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]cyclobutane-1-carbonitrile
CID 167963882
4-[2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 96996849

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile (CID 79669765) is 2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile is CCN1CCOC(c2n[nH]c(CC#N)n2)C1.
What is the InChIKey of 2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile?
The InChIKey is FDKFAGJDIZNXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-15-5-6-16-8(7-15)10-12-9(3-4-11)13-14-10/h8H,2-3,5-7H2,1H3,(H,12,13,14).
What are the key properties of 2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile?
2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile has a molecular weight of 221.26 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile is sourced from PubChem (CID 79669765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).