5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine

C10H10Br2N4O — CID 103098693

IUPAC5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine
SMILESCOc1ccc(Cn2nc(N)nc2Br)cc1Br
InChIInChI=1S/C10H10Br2N4O/c1-17-8-3-2-6(4-7(8)11)5-16-9(12)14-10(13)15-16/h2-4H,5H2,1H3,(H2,13,15)
InChIKeyBWPIGACZKKOELL-UHFFFAOYSA-N
MW362.03 g/mol
LogP2.44
Rot. Bonds3

About 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine

5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine (PubChem CID 103098693) has the molecular formula C10H10Br2N4O and a molecular weight of 362.03 g/mol. Its IUPAC name is 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine
PubChem CID103098693
Molecular FormulaC10H10Br2N4O
Molecular Weight362.03 g/mol
Exact Mass359.92
IUPAC Name5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine
SMILESCOc1ccc(Cn2nc(N)nc2Br)cc1Br
InChIInChI=1S/C10H10Br2N4O/c1-17-8-3-2-6(4-7(8)11)5-16-9(12)14-10(13)15-16/h2-4H,5H2,1H3,(H2,13,15)
InChIKeyBWPIGACZKKOELL-UHFFFAOYSA-N
XLogP2.44
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.03
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine
CID 82703238
1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole
CID 82695018
1-[(3-bromo-4-methoxyphenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784664
1-[(3-bromo-4-methoxyphenyl)methyl]indazole
CID 62140207
5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine
CID 103098719
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
1-[(3-bromo-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 1131781
2-[(3-bromo-4-methoxyphenyl)methyl]-5-iodopyridazin-3-one
CID 114553704
4-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]aniline
CID 115212471
1-[(3-bromo-4-methoxyphenyl)methyl]pyridin-4-one
CID 55127426
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784
3-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 54970847

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine (CID 103098693) is 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine is COc1ccc(Cn2nc(N)nc2Br)cc1Br.
What is the InChIKey of 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is BWPIGACZKKOELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N4O/c1-17-8-3-2-6(4-7(8)11)5-16-9(12)14-10(13)15-16/h2-4H,5H2,1H3,(H2,13,15).
What are the key properties of 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine?
5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 362.03 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 103098693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).