(Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile

C6H4N4 — CID 5356509

IUPAC(Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile
SMILESN#C/C=C(\N)C(C#N)C#N
InChIInChI=1S/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,5H,10H2/b6-1-
InChIKeyQDRKCNWQSUBLGZ-BHQIHCQQSA-N
MW132.13 g/mol
LogP0.02
Rot. Bonds1

About (Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile

(Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile (PubChem CID 5356509) has the molecular formula C6H4N4 and a molecular weight of 132.13 g/mol. Its IUPAC name is (Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile.

Molecular Properties

Compound Name(Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile
PubChem CID5356509
Molecular FormulaC6H4N4
Molecular Weight132.13 g/mol
Exact Mass132.04
IUPAC Name(Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile
SMILESN#C/C=C(\N)C(C#N)C#N
InChIInChI=1S/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,5H,10H2/b6-1-
InChIKeyQDRKCNWQSUBLGZ-BHQIHCQQSA-N
XLogP0.02
TPSA97.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_ene_amine_A(56)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile?
The IUPAC name of (Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile (CID 5356509) is (Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile.
What is the SMILES notation for (Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile?
The canonical SMILES for (Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile is N#C/C=C(\N)C(C#N)C#N.
What is the InChIKey of (Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile?
The InChIKey is QDRKCNWQSUBLGZ-BHQIHCQQSA-N. The full InChI is InChI=1S/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,5H,10H2/b6-1-.
What are the key properties of (Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile?
(Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile has a molecular weight of 132.13 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-aminoprop-2-ene-1,1,3-tricarbonitrile is sourced from PubChem (CID 5356509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).