3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine

C19H16ClN5O — CID 91827407

IUPAC3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCc2c(Cl)cccc2Oc2cccc3ccccc23)n[nH]1
InChIInChI=1S/C19H16ClN5O/c20-15-8-4-10-17(14(15)11-22-19-23-18(21)24-25-19)26-16-9-3-6-12-5-1-2-7-13(12)16/h1-10H,11H2,(H4,21,22,23,24,25)
InChIKeyQAWFHNZRRCAPTH-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.60
Rot. Bonds5

About 3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 91827407) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID91827407
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCc2c(Cl)cccc2Oc2cccc3ccccc23)n[nH]1
InChIInChI=1S/C19H16ClN5O/c20-15-8-4-10-17(14(15)11-22-19-23-18(21)24-25-19)26-16-9-3-6-12-5-1-2-7-13(12)16/h1-10H,11H2,(H4,21,22,23,24,25)
InChIKeyQAWFHNZRRCAPTH-UHFFFAOYSA-N
XLogP4.60
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[[2-chloro-6-(4-methylsulfanylphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 118297760
3-N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 118297736
3-[2-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]-3-chlorophenoxy]benzaldehyde
CID 163683627
3-N-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 71420765
3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 155561208
N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine
CID 161196884
2-chloro-6-naphthalen-1-yloxypyridin-4-amine
CID 56990425
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline
CID 66076535
5-(3-amino-4-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine
CID 130429224
5-(3-aminophenyl)-N-[(2-chloro-6-methylphenyl)methyl]-1H-1,2,4-triazol-3-amine
CID 130429151
3-N-[2-(benzenesulfonyl)-3-chlorophenyl]-1H-1,2,4-triazole-3,5-diamine
CID 90303833

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine (CID 91827407) is 3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine is Nc1nc(NCc2c(Cl)cccc2Oc2cccc3ccccc23)n[nH]1.
What is the InChIKey of 3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is QAWFHNZRRCAPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c20-15-8-4-10-17(14(15)11-22-19-23-18(21)24-25-19)26-16-9-3-6-12-5-1-2-7-13(12)16/h1-10H,11H2,(H4,21,22,23,24,25).
What are the key properties of 3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 365.82 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 91827407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).