benzotriazol-1-amine

C6H6N4 — CID 1367

IUPACbenzotriazol-1-amine
SMILESNn1nnc2ccccc21
InChIInChI=1S/C6H6N4/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H,7H2
InChIKeyJCXKHYLLVKZPKE-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.15
Rot. Bonds

About benzotriazol-1-amine

benzotriazol-1-amine (PubChem CID 1367) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is benzotriazol-1-amine.

Molecular Properties

Compound Namebenzotriazol-1-amine
PubChem CID1367
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Namebenzotriazol-1-amine
SMILESNn1nnc2ccccc21
InChIInChI=1S/C6H6N4/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H,7H2
InChIKeyJCXKHYLLVKZPKE-UHFFFAOYSA-N
XLogP0.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-amine?
The IUPAC name of benzotriazol-1-amine (CID 1367) is benzotriazol-1-amine.
What is the SMILES notation for benzotriazol-1-amine?
The canonical SMILES for benzotriazol-1-amine is Nn1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-amine?
The InChIKey is JCXKHYLLVKZPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H,7H2.
What are the key properties of benzotriazol-1-amine?
benzotriazol-1-amine has a molecular weight of 134.14 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-amine is sourced from PubChem (CID 1367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).