8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C12H7BrClF2N5 — CID 146443827

IUPAC8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(Cl)c(Br)c2nc(Cc3c(F)cccc3F)nn12
InChIInChI=1S/C12H7BrClF2N5/c13-9-10(14)19-12(17)21-11(9)18-8(20-21)4-5-6(15)2-1-3-7(5)16/h1-3H,4H2,(H2,17,19)
InChIKeyAFVXUXWDYXRIKX-UHFFFAOYSA-N
MW374.58 g/mol
LogP2.99
Rot. Bonds2

About 8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146443827) has the molecular formula C12H7BrClF2N5 and a molecular weight of 374.58 g/mol. Its IUPAC name is 8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146443827
Molecular FormulaC12H7BrClF2N5
Molecular Weight374.58 g/mol
Exact Mass372.95
IUPAC Name8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(Cl)c(Br)c2nc(Cc3c(F)cccc3F)nn12
InChIInChI=1S/C12H7BrClF2N5/c13-9-10(14)19-12(17)21-11(9)18-8(20-21)4-5-6(15)2-1-3-7(5)16/h1-3H,4H2,(H2,17,19)
InChIKeyAFVXUXWDYXRIKX-UHFFFAOYSA-N
XLogP2.99
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 161351702
2-[(2,6-difluorophenyl)methyl]-8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490911
3-[5-amino-8-bromo-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508800
8-(2-chloro-6-methyl-4-pyridinyl)-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490611
3-[5-amino-8-bromo-2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508840
2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490637
2-[(3-chloro-5-fluoro-2-pyridinyl)methyl]-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethane
CID 156821438
2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135336170
2-[(5-fluoro-2-pyridinyl)methyl]-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 156821407
1-[(2,6-difluorophenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 121320276
2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 63023707

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146443827) is 8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(Cl)c(Br)c2nc(Cc3c(F)cccc3F)nn12.
What is the InChIKey of 8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is AFVXUXWDYXRIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF2N5/c13-9-10(14)19-12(17)21-11(9)18-8(20-21)4-5-6(15)2-1-3-7(5)16/h1-3H,4H2,(H2,17,19).
What are the key properties of 8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 374.58 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-chloro-2-[(2,6-difluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146443827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).