1-aminoethane-1,1,2-tricarbonitrile

C5H4N4 — CID 54314011

IUPAC1-aminoethane-1,1,2-tricarbonitrile
SMILESN#CCC(N)(C#N)C#N
InChIInChI=1S/C5H4N4/c6-2-1-5(9,3-7)4-8/h1,9H2
InChIKeySMWKJUZMMYLPDC-UHFFFAOYSA-N
MW120.11 g/mol
LogP-0.36
Rot. Bonds1

About 1-aminoethane-1,1,2-tricarbonitrile

1-aminoethane-1,1,2-tricarbonitrile (PubChem CID 54314011) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 1-aminoethane-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name1-aminoethane-1,1,2-tricarbonitrile
PubChem CID54314011
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name1-aminoethane-1,1,2-tricarbonitrile
SMILESN#CCC(N)(C#N)C#N
InChIInChI=1S/C5H4N4/c6-2-1-5(9,3-7)4-8/h1,9H2
InChIKeySMWKJUZMMYLPDC-UHFFFAOYSA-N
XLogP-0.36
TPSA97.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3,3-dimethylbutanenitrile
CID 82502374
(2S)-2-amino-3-cyano-2-methylpropanoic acid
CID 45086571
2,4-diamino-2,3,3,4-tetrachloropentanedinitrile
CID 23049398
3-amino-3,3-dicyclohexylpropanenitrile
CID 174404681
2-amino-2-(cyanomethyl)butanedioic acid
CID 19432074
3-amino-4-(dimethylamino)-3-[1-(dimethylamino)propyl]hexanenitrile
CID 118937963
chloroform;3,3,3-trichloropropanenitrile
CID 173237171
3,3-difluorobutanenitrile
CID 83855155
2,2-diaminobutanenitrile
CID 141036920
(3S)-3-amino-3-phenylbutanenitrile
CID 130848361
cyanophosphanium
CID 23594344
2-hydroxy-2-propan-2-ylbutanedinitrile
CID 87093586

Frequently Asked Questions

What is the IUPAC name of 1-aminoethane-1,1,2-tricarbonitrile?
The IUPAC name of 1-aminoethane-1,1,2-tricarbonitrile (CID 54314011) is 1-aminoethane-1,1,2-tricarbonitrile.
What is the SMILES notation for 1-aminoethane-1,1,2-tricarbonitrile?
The canonical SMILES for 1-aminoethane-1,1,2-tricarbonitrile is N#CCC(N)(C#N)C#N.
What is the InChIKey of 1-aminoethane-1,1,2-tricarbonitrile?
The InChIKey is SMWKJUZMMYLPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c6-2-1-5(9,3-7)4-8/h1,9H2.
What are the key properties of 1-aminoethane-1,1,2-tricarbonitrile?
1-aminoethane-1,1,2-tricarbonitrile has a molecular weight of 120.11 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethane-1,1,2-tricarbonitrile is sourced from PubChem (CID 54314011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).