5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine

C7H8BrN5 — CID 83681354

IUPAC5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine
SMILESCC(C)n1nnc2cnc(Br)nc21
InChIInChI=1S/C7H8BrN5/c1-4(2)13-6-5(11-12-13)3-9-7(8)10-6/h3-4H,1-2H3
InChIKeyUNGPBAHAPDZWRF-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.56
Rot. Bonds1

About 5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine

5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine (PubChem CID 83681354) has the molecular formula C7H8BrN5 and a molecular weight of 242.08 g/mol. Its IUPAC name is 5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine
PubChem CID83681354
Molecular FormulaC7H8BrN5
Molecular Weight242.08 g/mol
Exact Mass241.00
IUPAC Name5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine
SMILESCC(C)n1nnc2cnc(Br)nc21
InChIInChI=1S/C7H8BrN5/c1-4(2)13-6-5(11-12-13)3-9-7(8)10-6/h3-4H,1-2H3
InChIKeyUNGPBAHAPDZWRF-UHFFFAOYSA-N
XLogP1.56
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-propan-2-yltriazolo[4,5-d]pyrimidine
CID 57472339
3-propan-2-yltriazolo[4,5-b]pyridin-6-amine
CID 67036369
7-bromo-1-propan-2-ylbenzotriazole
CID 83681318
6-bromo-1-methylpyrazolo[3,4-d]pyrimidine
CID 82394293
5,6-dimethyl-1-propan-2-ylbenzotriazole
CID 59167826
5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline
CID 163378477
5,6-dichloro-1-propan-2-ylbenzotriazole
CID 178059021
5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine
CID 59995691
7-deuterio-1-propan-2-ylbenzotriazole
CID 10374745
6,7-dichloro-1-propan-2-ylbenzotriazole
CID 70442733
3-(4-bromophenyl)-5-chlorotriazolo[4,5-d]pyrimidine
CID 90389706
(3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine
CID 84663398

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine?
The IUPAC name of 5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine (CID 83681354) is 5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine is CC(C)n1nnc2cnc(Br)nc21.
What is the InChIKey of 5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine?
The InChIKey is UNGPBAHAPDZWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN5/c1-4(2)13-6-5(11-12-13)3-9-7(8)10-6/h3-4H,1-2H3.
What are the key properties of 5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine?
5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine has a molecular weight of 242.08 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 83681354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).