6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C14H12Cl2N4 — CID 1472448

IUPAC6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(C)c1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N4/c1-8-10(6-11-12(15)4-3-5-13(11)16)9(2)20-14(19-8)17-7-18-20/h3-5,7H,6H2,1-2H3
InChIKeyNCGZJTRAUOGKGY-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.64
Rot. Bonds2

About 6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 1472448) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID1472448
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(C)c1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N4/c1-8-10(6-11-12(15)4-3-5-13(11)16)9(2)20-14(19-8)17-7-18-20/h3-5,7H,6H2,1-2H3
InChIKeyNCGZJTRAUOGKGY-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 1472448) is 6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(C)c1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NCGZJTRAUOGKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c1-8-10(6-11-12(15)4-3-5-13(11)16)9(2)20-14(19-8)17-7-18-20/h3-5,7H,6H2,1-2H3.
What are the key properties of 6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 307.18 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dichlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1472448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).