1-diazo-2H-as-indacene-2,7-diamine

C12H10N4 — CID 87929425

IUPAC1-diazo-2H-as-indacene-2,7-diamine
SMILES[N-]=[N+]=C1c2c3c(ccc2=CC1N)=CC(N)=C3
InChIInChI=1S/C12H10N4/c13-8-3-6-1-2-7-4-10(14)12(16-15)11(7)9(6)5-8/h1-5,10H,13-14H2
InChIKeyMBEPQELTYDAJAY-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.08
Rot. Bonds

About 1-diazo-2H-as-indacene-2,7-diamine

1-diazo-2H-as-indacene-2,7-diamine (PubChem CID 87929425) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-diazo-2H-as-indacene-2,7-diamine.

Molecular Properties

Compound Name1-diazo-2H-as-indacene-2,7-diamine
PubChem CID87929425
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name1-diazo-2H-as-indacene-2,7-diamine
SMILES[N-]=[N+]=C1c2c3c(ccc2=CC1N)=CC(N)=C3
InChIInChI=1S/C12H10N4/c13-8-3-6-1-2-7-4-10(14)12(16-15)11(7)9(6)5-8/h1-5,10H,13-14H2
InChIKeyMBEPQELTYDAJAY-UHFFFAOYSA-N
XLogP-1.08
TPSA88.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diazo-2H-as-indacene-2,7-diamine?
The IUPAC name of 1-diazo-2H-as-indacene-2,7-diamine (CID 87929425) is 1-diazo-2H-as-indacene-2,7-diamine.
What is the SMILES notation for 1-diazo-2H-as-indacene-2,7-diamine?
The canonical SMILES for 1-diazo-2H-as-indacene-2,7-diamine is [N-]=[N+]=C1c2c3c(ccc2=CC1N)=CC(N)=C3.
What is the InChIKey of 1-diazo-2H-as-indacene-2,7-diamine?
The InChIKey is MBEPQELTYDAJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-8-3-6-1-2-7-4-10(14)12(16-15)11(7)9(6)5-8/h1-5,10H,13-14H2.
What are the key properties of 1-diazo-2H-as-indacene-2,7-diamine?
1-diazo-2H-as-indacene-2,7-diamine has a molecular weight of 210.24 g/mol, XLogP of -1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazo-2H-as-indacene-2,7-diamine is sourced from PubChem (CID 87929425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).