N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine

C18H16N4 — CID 828169

IUPACN-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine
SMILESCc1ccc2c(c1)nnn2CNc1cccc2ccccc12
InChIInChI=1S/C18H16N4/c1-13-9-10-18-17(11-13)20-21-22(18)12-19-16-8-4-6-14-5-2-3-7-15(14)16/h2-11,19H,12H2,1H3
InChIKeyKPWAJLIZVSWFLE-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.96
Rot. Bonds3

About N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine

N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine (PubChem CID 828169) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine
PubChem CID828169
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC NameN-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine
SMILESCc1ccc2c(c1)nnn2CNc1cccc2ccccc12
InChIInChI=1S/C18H16N4/c1-13-9-10-18-17(11-13)20-21-22(18)12-19-16-8-4-6-14-5-2-3-7-15(14)16/h2-11,19H,12H2,1H3
InChIKeyKPWAJLIZVSWFLE-UHFFFAOYSA-N
XLogP3.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine?
The IUPAC name of N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine (CID 828169) is N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine.
What is the SMILES notation for N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine?
The canonical SMILES for N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine is Cc1ccc2c(c1)nnn2CNc1cccc2ccccc12.
What is the InChIKey of N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine?
The InChIKey is KPWAJLIZVSWFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-13-9-10-18-17(11-13)20-21-22(18)12-19-16-8-4-6-14-5-2-3-7-15(14)16/h2-11,19H,12H2,1H3.
What are the key properties of N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine?
N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine has a molecular weight of 288.35 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine is sourced from PubChem (CID 828169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).