6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine

C9H10Cl2N4 — CID 59028654

IUPAC6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC(C)c1c(Cl)nc2ncnn2c1Cl
InChIInChI=1S/C9H10Cl2N4/c1-3-5(2)6-7(10)14-9-12-4-13-15(9)8(6)11/h4-5H,3H2,1-2H3
InChIKeyHFXBSFPSOZEUIC-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.94
Rot. Bonds2

About 6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine

6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 59028654) has the molecular formula C9H10Cl2N4 and a molecular weight of 245.11 g/mol. Its IUPAC name is 6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID59028654
Molecular FormulaC9H10Cl2N4
Molecular Weight245.11 g/mol
Exact Mass244.03
IUPAC Name6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC(C)c1c(Cl)nc2ncnn2c1Cl
InChIInChI=1S/C9H10Cl2N4/c1-3-5(2)6-7(10)14-9-12-4-13-15(9)8(6)11/h4-5H,3H2,1-2H3
InChIKeyHFXBSFPSOZEUIC-UHFFFAOYSA-N
XLogP2.94
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 59028654) is 6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine is CCC(C)c1c(Cl)nc2ncnn2c1Cl.
What is the InChIKey of 6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HFXBSFPSOZEUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4/c1-3-5(2)6-7(10)14-9-12-4-13-15(9)8(6)11/h4-5H,3H2,1-2H3.
What are the key properties of 6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine?
6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 245.11 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 59028654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).