5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C18H19N7 — CID 53250043

IUPAC5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3nc(-c4cccnc4)cn3C)nc2n1
InChIInChI=1S/C18H19N7/c1-12-9-13(2)25-18(20-12)22-16(23-25)6-7-17-21-15(11-24(17)3)14-5-4-8-19-10-14/h4-5,8-11H,6-7H2,1-3H3
InChIKeyCLPUNEFLDXLXCB-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.32
Rot. Bonds4

About 5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53250043) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53250043
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3nc(-c4cccnc4)cn3C)nc2n1
InChIInChI=1S/C18H19N7/c1-12-9-13(2)25-18(20-12)22-16(23-25)6-7-17-21-15(11-24(17)3)14-5-4-8-19-10-14/h4-5,8-11H,6-7H2,1-3H3
InChIKeyCLPUNEFLDXLXCB-UHFFFAOYSA-N
XLogP2.32
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53250043) is 5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(CCc3nc(-c4cccnc4)cn3C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CLPUNEFLDXLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-12-9-13(2)25-18(20-12)22-16(23-25)6-7-17-21-15(11-24(17)3)14-5-4-8-19-10-14/h4-5,8-11H,6-7H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 333.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53250043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).