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

C14H12Cl2N4 — CID 86630670

IUPAC5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1nc2nc(Cl)c(-c3ccccc3)c(Cl)n2n1
InChIInChI=1S/C14H12Cl2N4/c1-8(2)13-18-14-17-11(15)10(12(16)20(14)19-13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyDAXBPCYLFSFTBV-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.22
Rot. Bonds2

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

5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 86630670) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID86630670
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1nc2nc(Cl)c(-c3ccccc3)c(Cl)n2n1
InChIInChI=1S/C14H12Cl2N4/c1-8(2)13-18-14-17-11(15)10(12(16)20(14)19-13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyDAXBPCYLFSFTBV-UHFFFAOYSA-N
XLogP4.22
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 86630670) is 5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)c1nc2nc(Cl)c(-c3ccccc3)c(Cl)n2n1.
What is the InChIKey of 5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DAXBPCYLFSFTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c1-8(2)13-18-14-17-11(15)10(12(16)20(14)19-13)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 307.18 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 86630670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).