1,2-diaza-4-azanidacyclopenta-2,5-diene

C2H2N3- — CID 3673436

IUPAC1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESc1nnc[n-]1
InChIInChI=1S/C2H2N3/c1-3-2-5-4-1/h1-2H/q-1
InChIKeyOCYPXODIXIRXRC-UHFFFAOYSA-N
MW68.06 g/mol
LogP-0.57
Rot. Bonds

About 1,2-diaza-4-azanidacyclopenta-2,5-diene

1,2-diaza-4-azanidacyclopenta-2,5-diene (PubChem CID 3673436) has the molecular formula C2H2N3- and a molecular weight of 68.06 g/mol. Its IUPAC name is 1,2-diaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

Compound Name1,2-diaza-4-azanidacyclopenta-2,5-diene
PubChem CID3673436
Molecular FormulaC2H2N3-
Molecular Weight68.06 g/mol
Exact Mass68.03
IUPAC Name1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESc1nnc[n-]1
InChIInChI=1S/C2H2N3/c1-3-2-5-4-1/h1-2H/q-1
InChIKeyOCYPXODIXIRXRC-UHFFFAOYSA-N
XLogP-0.57
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.06
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diaza-4-azanidacyclopenta-2,5-diene?
The IUPAC name of 1,2-diaza-4-azanidacyclopenta-2,5-diene (CID 3673436) is 1,2-diaza-4-azanidacyclopenta-2,5-diene.
What is the SMILES notation for 1,2-diaza-4-azanidacyclopenta-2,5-diene?
The canonical SMILES for 1,2-diaza-4-azanidacyclopenta-2,5-diene is c1nnc[n-]1.
What is the InChIKey of 1,2-diaza-4-azanidacyclopenta-2,5-diene?
The InChIKey is OCYPXODIXIRXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N3/c1-3-2-5-4-1/h1-2H/q-1.
What are the key properties of 1,2-diaza-4-azanidacyclopenta-2,5-diene?
1,2-diaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 68.06 g/mol, XLogP of -0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 3673436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).