1,2,3-benzotriazine;hydrazine

C7H9N5 — CID 67089361

IUPAC1,2,3-benzotriazine;hydrazine
SMILESNN.c1ccc2nnncc2c1
InChIInChI=1S/C7H5N3.H4N2/c1-2-4-7-6(3-1)5-8-10-9-7;1-2/h1-5H;1-2H2
InChIKeyIMVHJXYCXNTMCM-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.16
Rot. Bonds

About 1,2,3-benzotriazine;hydrazine

1,2,3-benzotriazine;hydrazine (PubChem CID 67089361) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1,2,3-benzotriazine;hydrazine.

Molecular Properties

Compound Name1,2,3-benzotriazine;hydrazine
PubChem CID67089361
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name1,2,3-benzotriazine;hydrazine
SMILESNN.c1ccc2nnncc2c1
InChIInChI=1S/C7H5N3.H4N2/c1-2-4-7-6(3-1)5-8-10-9-7;1-2/h1-5H;1-2H2
InChIKeyIMVHJXYCXNTMCM-UHFFFAOYSA-N
XLogP-0.16
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclodeca[d]triazine
CID 68541333
pyrido[3,2-d]triazine
CID 56972665
propane;pyrido[4,3-d]triazine
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cinnoline;hydrochloride
CID 175461371
cyclodeca[c]pyridazine
CID 68549169
cinnoline;hydroiodide
CID 174664707
cinnoline;isoquinoline;phthalazine
CID 142014837
benzene;triazine-4,5-diamine
CID 174638520
3-cinnolin-3-ylcinnoline
CID 12908797
1-quinazolin-2-ylphthalazine
CID 57181955
quinolin-2-amine;zirconium
CID 175251209
CID 158897445
CID 158897445

Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzotriazine;hydrazine?
The IUPAC name of 1,2,3-benzotriazine;hydrazine (CID 67089361) is 1,2,3-benzotriazine;hydrazine.
What is the SMILES notation for 1,2,3-benzotriazine;hydrazine?
The canonical SMILES for 1,2,3-benzotriazine;hydrazine is NN.c1ccc2nnncc2c1.
What is the InChIKey of 1,2,3-benzotriazine;hydrazine?
The InChIKey is IMVHJXYCXNTMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3.H4N2/c1-2-4-7-6(3-1)5-8-10-9-7;1-2/h1-5H;1-2H2.
What are the key properties of 1,2,3-benzotriazine;hydrazine?
1,2,3-benzotriazine;hydrazine has a molecular weight of 163.18 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-benzotriazine;hydrazine is sourced from PubChem (CID 67089361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).