1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine

C11H10N6 — CID 140994980

IUPAC1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine
SMILESc1ccc(NNc2ccc3n[nH]nc3c2)nc1
InChIInChI=1S/C11H10N6/c1-2-6-12-11(3-1)16-13-8-4-5-9-10(7-8)15-17-14-9/h1-7,13H,(H,12,16)(H,14,15,17)
InChIKeyVMFQKQLKMJRGCZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.79
Rot. Bonds3

About 1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine

1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine (PubChem CID 140994980) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine.

Molecular Properties

Compound Name1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine
PubChem CID140994980
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine
SMILESc1ccc(NNc2ccc3n[nH]nc3c2)nc1
InChIInChI=1S/C11H10N6/c1-2-6-12-11(3-1)16-13-8-4-5-9-10(7-8)15-17-14-9/h1-7,13H,(H,12,16)(H,14,15,17)
InChIKeyVMFQKQLKMJRGCZ-UHFFFAOYSA-N
XLogP1.79
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine?
The IUPAC name of 1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine (CID 140994980) is 1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine.
What is the SMILES notation for 1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine?
The canonical SMILES for 1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine is c1ccc(NNc2ccc3n[nH]nc3c2)nc1.
What is the InChIKey of 1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine?
The InChIKey is VMFQKQLKMJRGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c1-2-6-12-11(3-1)16-13-8-4-5-9-10(7-8)15-17-14-9/h1-7,13H,(H,12,16)(H,14,15,17).
What are the key properties of 1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine?
1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine has a molecular weight of 226.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-benzotriazol-5-yl)-2-pyridin-2-ylhydrazine is sourced from PubChem (CID 140994980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).