2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane

C9H14N4 — CID 143791133

IUPAC2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane
SMILESCC.Cc1ccn2nc(C)nc2n1
InChIInChI=1S/C7H8N4.C2H6/c1-5-3-4-11-7(8-5)9-6(2)10-11;1-2/h3-4H,1-2H3;1-2H3
InChIKeyIQKGROUFPPMQNH-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.77
Rot. Bonds

About 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane

2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane (PubChem CID 143791133) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane.

Molecular Properties

Compound Name2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane
PubChem CID143791133
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane
SMILESCC.Cc1ccn2nc(C)nc2n1
InChIInChI=1S/C7H8N4.C2H6/c1-5-3-4-11-7(8-5)9-6(2)10-11;1-2/h3-4H,1-2H3;1-2H3
InChIKeyIQKGROUFPPMQNH-UHFFFAOYSA-N
XLogP1.77
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenoxy)ethylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 76684684
8-chloro-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine;ethane
CID 142337568
5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 4801640
(2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide
CID 51374692
2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 24850835
2,6,8-trimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 134317973
7-ethyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 176683337
N,N,2,5-tetramethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 69492586
(4-nitrophenyl)methyl 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 4850079
N-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanamine
CID 84771948
N-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine
CID 83829564
3,4-dimethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]benzoate
CID 23161477

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane?
The IUPAC name of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane (CID 143791133) is 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane.
What is the SMILES notation for 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane?
The canonical SMILES for 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane is CC.Cc1ccn2nc(C)nc2n1.
What is the InChIKey of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane?
The InChIKey is IQKGROUFPPMQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4.C2H6/c1-5-3-4-11-7(8-5)9-6(2)10-11;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane?
2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane has a molecular weight of 178.24 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane is sourced from PubChem (CID 143791133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).