(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone

C13H12BrN7O — CID 66846899

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone
SMILESCN1c2nccn2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C13H12BrN7O/c1-18-13-15-2-3-19(13)4-5-21(18)12(22)10-6-11-16-7-9(14)8-20(11)17-10/h2-3,6-8H,4-5H2,1H3
InChIKeyGUYJTFRHDIZLHY-UHFFFAOYSA-N
MW362.19 g/mol
LogP1.20
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone (PubChem CID 66846899) has the molecular formula C13H12BrN7O and a molecular weight of 362.19 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone
PubChem CID66846899
Molecular FormulaC13H12BrN7O
Molecular Weight362.19 g/mol
Exact Mass361.03
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone
SMILESCN1c2nccn2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C13H12BrN7O/c1-18-13-15-2-3-19(13)4-5-21(18)12(22)10-6-11-16-7-9(14)8-20(11)17-10/h2-3,6-8H,4-5H2,1H3
InChIKeyGUYJTFRHDIZLHY-UHFFFAOYSA-N
XLogP1.20
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone (CID 66846899) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone is CN1c2nccn2CCN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone?
The InChIKey is GUYJTFRHDIZLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN7O/c1-18-13-15-2-3-19(13)4-5-21(18)12(22)10-6-11-16-7-9(14)8-20(11)17-10/h2-3,6-8H,4-5H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone has a molecular weight of 362.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)methanone is sourced from PubChem (CID 66846899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).