N-ethyl-2H-benzotriazol-4-amine

C8H10N4 — CID 19869917

IUPACN-ethyl-2H-benzotriazol-4-amine
SMILESCCNc1cccc2n[nH]nc12
InChIInChI=1S/C8H10N4/c1-2-9-6-4-3-5-7-8(6)11-12-10-7/h3-5,9H,2H2,1H3,(H,10,11,12)
InChIKeyQAQDNWXCMMPXGH-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.39
Rot. Bonds2

About N-ethyl-2H-benzotriazol-4-amine

N-ethyl-2H-benzotriazol-4-amine (PubChem CID 19869917) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is N-ethyl-2H-benzotriazol-4-amine.

Molecular Properties

Compound NameN-ethyl-2H-benzotriazol-4-amine
PubChem CID19869917
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC NameN-ethyl-2H-benzotriazol-4-amine
SMILESCCNc1cccc2n[nH]nc12
InChIInChI=1S/C8H10N4/c1-2-9-6-4-3-5-7-8(6)11-12-10-7/h3-5,9H,2H2,1H3,(H,10,11,12)
InChIKeyQAQDNWXCMMPXGH-UHFFFAOYSA-N
XLogP1.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2H-benzotriazol-4-amine?
The IUPAC name of N-ethyl-2H-benzotriazol-4-amine (CID 19869917) is N-ethyl-2H-benzotriazol-4-amine.
What is the SMILES notation for N-ethyl-2H-benzotriazol-4-amine?
The canonical SMILES for N-ethyl-2H-benzotriazol-4-amine is CCNc1cccc2n[nH]nc12.
What is the InChIKey of N-ethyl-2H-benzotriazol-4-amine?
The InChIKey is QAQDNWXCMMPXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-2-9-6-4-3-5-7-8(6)11-12-10-7/h3-5,9H,2H2,1H3,(H,10,11,12).
What are the key properties of N-ethyl-2H-benzotriazol-4-amine?
N-ethyl-2H-benzotriazol-4-amine has a molecular weight of 162.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2H-benzotriazol-4-amine is sourced from PubChem (CID 19869917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).