N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine

C20H17ClN4O — CID 17058803

IUPACN-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine
SMILESClc1ccc(COc2ccc3ccccc3c2CNc2ncn[nH]2)cc1
InChIInChI=1S/C20H17ClN4O/c21-16-8-5-14(6-9-16)12-26-19-10-7-15-3-1-2-4-17(15)18(19)11-22-20-23-13-24-25-20/h1-10,13H,11-12H2,(H2,22,23,24,25)
InChIKeyOTGUHOYBXUJQDM-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.80
Rot. Bonds6

About N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine

N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine (PubChem CID 17058803) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine
PubChem CID17058803
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC NameN-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine
SMILESClc1ccc(COc2ccc3ccccc3c2CNc2ncn[nH]2)cc1
InChIInChI=1S/C20H17ClN4O/c21-16-8-5-14(6-9-16)12-26-19-10-7-15-3-1-2-4-17(15)18(19)11-22-20-23-13-24-25-20/h1-10,13H,11-12H2,(H2,22,23,24,25)
InChIKeyOTGUHOYBXUJQDM-UHFFFAOYSA-N
XLogP4.80
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17289773
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methylbutan-2-amine;hydrochloride
CID 17210770
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421
2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid
CID 66527086
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride
CID 17296016
2-[2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294792
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526135
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
CID 66544463
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155741
1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine
CID 4727212
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine
CID 834197
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline
CID 126119075

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine (CID 17058803) is N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine is Clc1ccc(COc2ccc3ccccc3c2CNc2ncn[nH]2)cc1.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine?
The InChIKey is OTGUHOYBXUJQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-16-8-5-14(6-9-16)12-26-19-10-7-15-3-1-2-4-17(15)18(19)11-22-20-23-13-24-25-20/h1-10,13H,11-12H2,(H2,22,23,24,25).
What are the key properties of N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine?
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine has a molecular weight of 364.84 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 17058803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).