2H-benzotriazol-4-amine;dihydrochloride

C6H8Cl2N4 — CID 162339490

IUPAC2H-benzotriazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cccc2n[nH]nc12
InChIInChI=1S/C6H6N4.2ClH/c7-4-2-1-3-5-6(4)9-10-8-5;;/h1-3H,7H2,(H,8,9,10);2*1H
InChIKeyOSKPURWZVRHBEF-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.38
Rot. Bonds

About 2H-benzotriazol-4-amine;dihydrochloride

2H-benzotriazol-4-amine;dihydrochloride (PubChem CID 162339490) has the molecular formula C6H8Cl2N4 and a molecular weight of 207.06 g/mol. Its IUPAC name is 2H-benzotriazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name2H-benzotriazol-4-amine;dihydrochloride
PubChem CID162339490
Molecular FormulaC6H8Cl2N4
Molecular Weight207.06 g/mol
Exact Mass206.01
IUPAC Name2H-benzotriazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cccc2n[nH]nc12
InChIInChI=1S/C6H6N4.2ClH/c7-4-2-1-3-5-6(4)9-10-8-5;;/h1-3H,7H2,(H,8,9,10);2*1H
InChIKeyOSKPURWZVRHBEF-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(2H-benzotriazol-4-ylmethyl)aniline
CID 69241387
2H-benzotriazol-4-ylmercury
CID 70502598
4-(2H-benzotriazol-4-yloxy)-2H-benzotriazole
CID 66783626
2-amino-N-(2H-benzotriazol-4-yl)benzamide
CID 110474353
2H-benzotriazol-4-yl-methyl-oxoazanium
CID 142034313
2H-benzotriazol-4-ylboronic acid
CID 119085064
2H-benzotriazol-4-ol;formic acid
CID 175461289
2-amino-2-(2H-benzotriazol-4-yl)acetonitrile
CID 69351110
2H-benzotriazole;praseodymium
CID 160995657
2H-benzotriazole;hydrate
CID 22320913
2H-cyclodeca[d]triazole
CID 135280907
2H-benzotriazole;iron
CID 67992309

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-4-amine;dihydrochloride?
The IUPAC name of 2H-benzotriazol-4-amine;dihydrochloride (CID 162339490) is 2H-benzotriazol-4-amine;dihydrochloride.
What is the SMILES notation for 2H-benzotriazol-4-amine;dihydrochloride?
The canonical SMILES for 2H-benzotriazol-4-amine;dihydrochloride is Cl.Cl.Nc1cccc2n[nH]nc12.
What is the InChIKey of 2H-benzotriazol-4-amine;dihydrochloride?
The InChIKey is OSKPURWZVRHBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.2ClH/c7-4-2-1-3-5-6(4)9-10-8-5;;/h1-3H,7H2,(H,8,9,10);2*1H.
What are the key properties of 2H-benzotriazol-4-amine;dihydrochloride?
2H-benzotriazol-4-amine;dihydrochloride has a molecular weight of 207.06 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-4-amine;dihydrochloride is sourced from PubChem (CID 162339490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).