benzene;benzene-1,2-diamine;formazan

C14H22N10 — CID 158623195

IUPACbenzene;benzene-1,2-diamine;formazan
SMILESNc1ccccc1N.[H]/N=N/C=NN.[H]/N=N/C=NN.c1ccccc1
InChIInChI=1S/C6H8N2.C6H6.2CH4N4/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1;2*2-4-1-5-3/h1-4H,7-8H2;1-6H;2*1-2H,3H2/b;;2*4-2+,5-1?
InChIKeyHYGJCMGQYVRVIC-WXBPMOIISA-N
MW330.40 g/mol
LogP2.38
Rot. Bonds2

About benzene;benzene-1,2-diamine;formazan

benzene;benzene-1,2-diamine;formazan (PubChem CID 158623195) has the molecular formula C14H22N10 and a molecular weight of 330.40 g/mol. Its IUPAC name is benzene;benzene-1,2-diamine;formazan.

Molecular Properties

Compound Namebenzene;benzene-1,2-diamine;formazan
PubChem CID158623195
Molecular FormulaC14H22N10
Molecular Weight330.40 g/mol
Exact Mass330.20
IUPAC Namebenzene;benzene-1,2-diamine;formazan
SMILESNc1ccccc1N.[H]/N=N/C=NN.[H]/N=N/C=NN.c1ccccc1
InChIInChI=1S/C6H8N2.C6H6.2CH4N4/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1;2*2-4-1-5-3/h1-4H,7-8H2;1-6H;2*1-2H,3H2/b;;2*4-2+,5-1?
InChIKeyHYGJCMGQYVRVIC-WXBPMOIISA-N
XLogP2.38
TPSA201.22 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.40
LogP ≤ 52.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

formazan;phenol
CID 77324270
3-amino-2-methylphenol;formazan
CID 157254660
N'-amino-N-iminomethanimidamide;anthracene-9,10-dione
CID 19842632
benzene-1,2-diamine;hydrogen peroxide;hydrochloride
CID 175004407
benzene-1,2-diamine;zinc
CID 70562194
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
2-methanimidoylbenzene-1,3-diamine
CID 88563224
CID 175145864
CID 175145864
benzene-1,2-diamine;carbonic acid
CID 22256139
CID 175440029
CID 175440029
benzene-1,2-diamine;sulfuryl difluoride
CID 88604078
benzene-1,2-diamine;N-methylmethanamine
CID 174458514

Frequently Asked Questions

What is the IUPAC name of benzene;benzene-1,2-diamine;formazan?
The IUPAC name of benzene;benzene-1,2-diamine;formazan (CID 158623195) is benzene;benzene-1,2-diamine;formazan.
What is the SMILES notation for benzene;benzene-1,2-diamine;formazan?
The canonical SMILES for benzene;benzene-1,2-diamine;formazan is Nc1ccccc1N.[H]/N=N/C=NN.[H]/N=N/C=NN.c1ccccc1.
What is the InChIKey of benzene;benzene-1,2-diamine;formazan?
The InChIKey is HYGJCMGQYVRVIC-WXBPMOIISA-N. The full InChI is InChI=1S/C6H8N2.C6H6.2CH4N4/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1;2*2-4-1-5-3/h1-4H,7-8H2;1-6H;2*1-2H,3H2/b;;2*4-2+,5-1?.
What are the key properties of benzene;benzene-1,2-diamine;formazan?
benzene;benzene-1,2-diamine;formazan has a molecular weight of 330.40 g/mol, XLogP of 2.38, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzene-1,2-diamine;formazan is sourced from PubChem (CID 158623195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).