2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile

C6H8N4O — CID 106399744

IUPAC2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
SMILESN#CCNCCc1ncno1
InChIInChI=1S/C6H8N4O/c7-2-4-8-3-1-6-9-5-10-11-6/h5,8H,1,3-4H2
InChIKeyKYRLFSYMVVAZGP-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.27
Rot. Bonds4

About 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile

2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile (PubChem CID 106399744) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
PubChem CID106399744
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
SMILESN#CCNCCc1ncno1
InChIInChI=1S/C6H8N4O/c7-2-4-8-3-1-6-9-5-10-11-6/h5,8H,1,3-4H2
InChIKeyKYRLFSYMVVAZGP-UHFFFAOYSA-N
XLogP-0.27
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399897
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 103838479
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106399887
3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106394350
2-methoxy-4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzonitrile
CID 106400076
4-methoxy-3-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzonitrile
CID 106399512
2-(1,2,4-oxadiazol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 106395144
(E)-4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-en-1-amine
CID 106399894
methyl 3-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]furan-2-carboxylate
CID 106395132
methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399515
N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82238026
1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106399582

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile (CID 106399744) is 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile is N#CCNCCc1ncno1.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile?
The InChIKey is KYRLFSYMVVAZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c7-2-4-8-3-1-6-9-5-10-11-6/h5,8H,1,3-4H2.
What are the key properties of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile?
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile has a molecular weight of 152.16 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile is sourced from PubChem (CID 106399744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).