N-(benzotriazol-1-ylmethyl)naphthalen-2-amine

C17H14N4 — CID 3802025

IUPACN-(benzotriazol-1-ylmethyl)naphthalen-2-amine
SMILESc1ccc2cc(NCn3nnc4ccccc43)ccc2c1
InChIInChI=1S/C17H14N4/c1-2-6-14-11-15(10-9-13(14)5-1)18-12-21-17-8-4-3-7-16(17)19-20-21/h1-11,18H,12H2
InChIKeyBULIYNSZVODELS-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.65
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)naphthalen-2-amine

N-(benzotriazol-1-ylmethyl)naphthalen-2-amine (PubChem CID 3802025) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)naphthalen-2-amine
PubChem CID3802025
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC NameN-(benzotriazol-1-ylmethyl)naphthalen-2-amine
SMILESc1ccc2cc(NCn3nnc4ccccc43)ccc2c1
InChIInChI=1S/C17H14N4/c1-2-6-14-11-15(10-9-13(14)5-1)18-12-21-17-8-4-3-7-16(17)19-20-21/h1-11,18H,12H2
InChIKeyBULIYNSZVODELS-UHFFFAOYSA-N
XLogP3.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)naphthalen-2-amine?
The IUPAC name of N-(benzotriazol-1-ylmethyl)naphthalen-2-amine (CID 3802025) is N-(benzotriazol-1-ylmethyl)naphthalen-2-amine.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)naphthalen-2-amine?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)naphthalen-2-amine is c1ccc2cc(NCn3nnc4ccccc43)ccc2c1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)naphthalen-2-amine?
The InChIKey is BULIYNSZVODELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-2-6-14-11-15(10-9-13(14)5-1)18-12-21-17-8-4-3-7-16(17)19-20-21/h1-11,18H,12H2.
What are the key properties of N-(benzotriazol-1-ylmethyl)naphthalen-2-amine?
N-(benzotriazol-1-ylmethyl)naphthalen-2-amine has a molecular weight of 274.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)naphthalen-2-amine is sourced from PubChem (CID 3802025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).