8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine

C5H3BrN4 — CID 70700776

IUPAC8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESBrc1cncn2cnnc12
InChIInChI=1S/C5H3BrN4/c6-4-1-7-2-10-3-8-9-5(4)10/h1-3H
InChIKeyPWBGVYGIQJQOKQ-UHFFFAOYSA-N
MW199.01 g/mol
LogP0.89
Rot. Bonds

About 8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine

8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 70700776) has the molecular formula C5H3BrN4 and a molecular weight of 199.01 g/mol. Its IUPAC name is 8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID70700776
Molecular FormulaC5H3BrN4
Molecular Weight199.01 g/mol
Exact Mass197.95
IUPAC Name8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESBrc1cncn2cnnc12
InChIInChI=1S/C5H3BrN4/c6-4-1-7-2-10-3-8-9-5(4)10/h1-3H
InChIKeyPWBGVYGIQJQOKQ-UHFFFAOYSA-N
XLogP0.89
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Triazolo(1,5-c)pyrimidine
CID 12318765
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
6-Bromo-[1,2,4]triazolo[1,5-a]pyrimidine
CID 15866980
8-Bromo-5-(methylthio)[1,2,4]triazolo[4,3-c]pyrimidine
CID 13519865
(1,2,4)Triazolo(4,3-c)pyrimidin-3-amine
CID 18769977
Pyrazolo(1,5-a)(1,3,5)triazine
CID 21948548
3-Bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 82392080
6-Bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 614285
7-Amino-3-bromopyrazolo(1,5-a)pyrimidine-6-carbonitrile
CID 4200522
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N,N,1-trimethyl-
CID 219780
1-Methyl-1h-pyrazolo[3,4-d]pyrimidine
CID 223688
1,2,4-Triazolo(4,3-c)pyrimidine
CID 331621

Frequently Asked Questions

What is the IUPAC name of 8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine (CID 70700776) is 8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine is Brc1cncn2cnnc12.
What is the InChIKey of 8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is PWBGVYGIQJQOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4/c6-4-1-7-2-10-3-8-9-5(4)10/h1-3H.
What are the key properties of 8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine?
8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 199.01 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 70700776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).