1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine

C15H15N5O — CID 58976009

IUPAC1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
SMILESCOc1cccc(-n2nc(Nc3ccccc3)nc2N)c1
InChIInChI=1S/C15H15N5O/c1-21-13-9-5-8-12(10-13)20-14(16)18-15(19-20)17-11-6-3-2-4-7-11/h2-10H,1H3,(H3,16,17,18,19)
InChIKeyWUPSPKBAEWRTCL-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.60
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine

1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine (PubChem CID 58976009) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
PubChem CID58976009
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
SMILESCOc1cccc(-n2nc(Nc3ccccc3)nc2N)c1
InChIInChI=1S/C15H15N5O/c1-21-13-9-5-8-12(10-13)20-14(16)18-15(19-20)17-11-6-3-2-4-7-11/h2-10H,1H3,(H3,16,17,18,19)
InChIKeyWUPSPKBAEWRTCL-UHFFFAOYSA-N
XLogP2.60
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58975976
1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58976644
3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 114797790
3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine
CID 58976315
3-N-(4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976428
2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 114797795
1-[3-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]ethanone
CID 58976391
1-(6-anilino-2-methylsulfanylpyrimidin-4-yl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976348
5-methoxy-2-phenyl-1,2,4-triazol-3-amine
CID 79873453
1-(6-anilinopyrimidin-4-yl)-3-N-[4-(diethylamino)phenyl]-1,2,4-triazole-3,5-diamine
CID 58976761
ethane;1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 91029394
1-(3-methoxyphenyl)-N-phenylimidazol-2-amine
CID 106559903

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine (CID 58976009) is 1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine is COc1cccc(-n2nc(Nc3ccccc3)nc2N)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine?
The InChIKey is WUPSPKBAEWRTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-21-13-9-5-8-12(10-13)20-14(16)18-15(19-20)17-11-6-3-2-4-7-11/h2-10H,1H3,(H3,16,17,18,19).
What are the key properties of 1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine?
1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine has a molecular weight of 281.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 58976009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).