6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine

C16H11Br2N7 — CID 163214066

IUPAC6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(-c3cn(-c4ccc(Br)cc4Br)nn3)ccc2n1
InChIInChI=1S/C16H11Br2N7/c17-9-2-4-14(11(18)6-9)25-7-13(23-24-25)8-1-3-12-10(5-8)15(19)22-16(20)21-12/h1-7H,(H4,19,20,21,22)
InChIKeyASONYOHQABINQT-UHFFFAOYSA-N
MW461.12 g/mol
LogP3.57
Rot. Bonds2

About 6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine

6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine (PubChem CID 163214066) has the molecular formula C16H11Br2N7 and a molecular weight of 461.12 g/mol. Its IUPAC name is 6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine
PubChem CID163214066
Molecular FormulaC16H11Br2N7
Molecular Weight461.12 g/mol
Exact Mass458.94
IUPAC Name6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(-c3cn(-c4ccc(Br)cc4Br)nn3)ccc2n1
InChIInChI=1S/C16H11Br2N7/c17-9-2-4-14(11(18)6-9)25-7-13(23-24-25)8-1-3-12-10(5-8)15(19)22-16(20)21-12/h1-7H,(H4,19,20,21,22)
InChIKeyASONYOHQABINQT-UHFFFAOYSA-N
XLogP3.57
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.12
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-bromo-2-methylphenyl)-4-(4-bromophenyl)triazole
CID 170665250
1-(2,5-dibromophenyl)-4-phenyltriazole
CID 141406964
6-(4-fluorophenyl)quinazoline-2,4-diamine
CID 24810151
4-(4-bromophenyl)-1-phenyltriazole
CID 58349860
6-bromo-2-phenylquinazolin-4-amine
CID 15879877
2,4-diaminoquinazoline-6-thiol
CID 91618965
5-[1-(2,4-dibromophenyl)triazol-4-yl]pentanoic acid
CID 104538602
6-bromo-4-naphthalen-2-ylquinazolin-2-amine
CID 125180223
3-[4-(4-bromophenyl)triazol-1-yl]benzoic acid
CID 44621523
6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 64983259
2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine
CID 23460165
[6-(1-phenyltriazol-4-yl)quinolin-2-yl]methanamine
CID 150205928

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine?
The IUPAC name of 6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine (CID 163214066) is 6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine?
The canonical SMILES for 6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine is Nc1nc(N)c2cc(-c3cn(-c4ccc(Br)cc4Br)nn3)ccc2n1.
What is the InChIKey of 6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine?
The InChIKey is ASONYOHQABINQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2N7/c17-9-2-4-14(11(18)6-9)25-7-13(23-24-25)8-1-3-12-10(5-8)15(19)22-16(20)21-12/h1-7H,(H4,19,20,21,22).
What are the key properties of 6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine?
6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine has a molecular weight of 461.12 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 163214066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).