1,2-diaminoethane-1,1,2-tricarbonitrile

C5H5N5 — CID 543208

IUPAC1,2-diaminoethane-1,1,2-tricarbonitrile
SMILESN#CC(N)C(N)(C#N)C#N
InChIInChI=1S/C5H5N5/c6-1-4(9)5(10,2-7)3-8/h4H,9-10H2
InChIKeyNYTBCLNVTDOUKF-UHFFFAOYSA-N
MW135.13 g/mol
LogP-1.42
Rot. Bonds1

About 1,2-diaminoethane-1,1,2-tricarbonitrile

1,2-diaminoethane-1,1,2-tricarbonitrile (PubChem CID 543208) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 1,2-diaminoethane-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name1,2-diaminoethane-1,1,2-tricarbonitrile
PubChem CID543208
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name1,2-diaminoethane-1,1,2-tricarbonitrile
SMILESN#CC(N)C(N)(C#N)C#N
InChIInChI=1S/C5H5N5/c6-1-4(9)5(10,2-7)3-8/h4H,9-10H2
InChIKeyNYTBCLNVTDOUKF-UHFFFAOYSA-N
XLogP-1.42
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-diaminoethane-1,1,2-tricarbonitrile?
The IUPAC name of 1,2-diaminoethane-1,1,2-tricarbonitrile (CID 543208) is 1,2-diaminoethane-1,1,2-tricarbonitrile.
What is the SMILES notation for 1,2-diaminoethane-1,1,2-tricarbonitrile?
The canonical SMILES for 1,2-diaminoethane-1,1,2-tricarbonitrile is N#CC(N)C(N)(C#N)C#N.
What is the InChIKey of 1,2-diaminoethane-1,1,2-tricarbonitrile?
The InChIKey is NYTBCLNVTDOUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c6-1-4(9)5(10,2-7)3-8/h4H,9-10H2.
What are the key properties of 1,2-diaminoethane-1,1,2-tricarbonitrile?
1,2-diaminoethane-1,1,2-tricarbonitrile has a molecular weight of 135.13 g/mol, XLogP of -1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diaminoethane-1,1,2-tricarbonitrile is sourced from PubChem (CID 543208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).