8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine

C16H12BrClN8 — CID 166568044

IUPAC8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine
SMILESCC(Nc1ncnc2c(Br)cc(Cl)cc12)c1nccnc1-n1nccn1
InChIInChI=1S/C16H12BrClN8/c1-9(13-16(20-3-2-19-13)26-23-4-5-24-26)25-15-11-6-10(18)7-12(17)14(11)21-8-22-15/h2-9H,1H3,(H,21,22,25)
InChIKeyYAVZOHDZGQPFHA-UHFFFAOYSA-N
MW431.69 g/mol
LogP3.59
Rot. Bonds4

About 8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine

8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine (PubChem CID 166568044) has the molecular formula C16H12BrClN8 and a molecular weight of 431.69 g/mol. Its IUPAC name is 8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine
PubChem CID166568044
Molecular FormulaC16H12BrClN8
Molecular Weight431.69 g/mol
Exact Mass430.01
IUPAC Name8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine
SMILESCC(Nc1ncnc2c(Br)cc(Cl)cc12)c1nccnc1-n1nccn1
InChIInChI=1S/C16H12BrClN8/c1-9(13-16(20-3-2-19-13)26-23-4-5-24-26)25-15-11-6-10(18)7-12(17)14(11)21-8-22-15/h2-9H,1H3,(H,21,22,25)
InChIKeyYAVZOHDZGQPFHA-UHFFFAOYSA-N
XLogP3.59
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.69
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6,8-dibromo-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine
CID 166568069
8-bromo-N-[1-[3-[5-(difluoromethoxy)-2-pyridinyl]pyrazin-2-yl]ethyl]-6-(trifluoromethyl)quinazolin-4-amine
CID 166567899
6-bromo-8-(difluoromethoxy)-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]quinazolin-4-amine
CID 166568131
2-[3-[1-[[6-chloro-8-(trifluoromethyl)quinazolin-4-yl]amino]ethyl]pyrazin-2-yl]-1,3-thiazole-5-carbonitrile
CID 166541976
3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613332
8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine
CID 166567992
3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613331
6-bromo-8-(difluoromethoxy)-N-methyl-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine
CID 166568027
6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine
CID 166567944
6-chloro-N-[(1S)-1-[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine
CID 176683143
6,8-dichloro-N-methylquinazolin-4-amine
CID 60726169
6-bromo-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-8-(trifluoromethyl)quinazolin-4-amine
CID 166567963

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine?
The IUPAC name of 8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine (CID 166568044) is 8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine?
The canonical SMILES for 8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine is CC(Nc1ncnc2c(Br)cc(Cl)cc12)c1nccnc1-n1nccn1.
What is the InChIKey of 8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine?
The InChIKey is YAVZOHDZGQPFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN8/c1-9(13-16(20-3-2-19-13)26-23-4-5-24-26)25-15-11-6-10(18)7-12(17)14(11)21-8-22-15/h2-9H,1H3,(H,21,22,25).
What are the key properties of 8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine?
8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine has a molecular weight of 431.69 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 166568044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).