N-ethylbenzotriazol-1-amine

C8H10N4 — CID 89402621

IUPACN-ethylbenzotriazol-1-amine
SMILESCCNn1nnc2ccccc21
InChIInChI=1S/C8H10N4/c1-2-9-12-8-6-4-3-5-7(8)10-11-12/h3-6,9H,2H2,1H3
InChIKeyRYGRTDMBJXBKKM-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.99
Rot. Bonds2

About N-ethylbenzotriazol-1-amine

N-ethylbenzotriazol-1-amine (PubChem CID 89402621) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is N-ethylbenzotriazol-1-amine.

Molecular Properties

Compound NameN-ethylbenzotriazol-1-amine
PubChem CID89402621
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC NameN-ethylbenzotriazol-1-amine
SMILESCCNn1nnc2ccccc21
InChIInChI=1S/C8H10N4/c1-2-9-12-8-6-4-3-5-7(8)10-11-12/h3-6,9H,2H2,1H3
InChIKeyRYGRTDMBJXBKKM-UHFFFAOYSA-N
XLogP0.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethylbenzotriazol-1-amine?
The IUPAC name of N-ethylbenzotriazol-1-amine (CID 89402621) is N-ethylbenzotriazol-1-amine.
What is the SMILES notation for N-ethylbenzotriazol-1-amine?
The canonical SMILES for N-ethylbenzotriazol-1-amine is CCNn1nnc2ccccc21.
What is the InChIKey of N-ethylbenzotriazol-1-amine?
The InChIKey is RYGRTDMBJXBKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-2-9-12-8-6-4-3-5-7(8)10-11-12/h3-6,9H,2H2,1H3.
What are the key properties of N-ethylbenzotriazol-1-amine?
N-ethylbenzotriazol-1-amine has a molecular weight of 162.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbenzotriazol-1-amine is sourced from PubChem (CID 89402621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).