[amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium

C11H15N6+ — CID 163505980

IUPAC[amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium
SMILESNC(=[NH2+])c1cccc2c1CCC2=NN=C(N)N
InChIInChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/p+1
InChIKeyCYPGNVSXMAUSJY-UHFFFAOYSA-O
MW231.28 g/mol
LogP-1.93
Rot. Bonds2

About [amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium

[amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium (PubChem CID 163505980) has the molecular formula C11H15N6+ and a molecular weight of 231.28 g/mol. Its IUPAC name is [amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium
PubChem CID163505980
Molecular FormulaC11H15N6+
Molecular Weight231.28 g/mol
Exact Mass231.14
IUPAC Name[amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium
SMILESNC(=[NH2+])c1cccc2c1CCC2=NN=C(N)N
InChIInChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/p+1
InChIKeyCYPGNVSXMAUSJY-UHFFFAOYSA-O
XLogP-1.93
TPSA128.37 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium?
The IUPAC name of [amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium (CID 163505980) is [amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium.
What is the SMILES notation for [amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium?
The canonical SMILES for [amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium is NC(=[NH2+])c1cccc2c1CCC2=NN=C(N)N.
What is the InChIKey of [amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium?
The InChIKey is CYPGNVSXMAUSJY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/p+1.
What are the key properties of [amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium?
[amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium has a molecular weight of 231.28 g/mol, XLogP of -1.93, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[1-(diaminomethylidenehydrazinylidene)-2,3-dihydroinden-4-yl]methylidene]azanium is sourced from PubChem (CID 163505980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).