2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine

C18H19N7 — CID 11302052

IUPAC2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ccccn2)ncn2nc(C)nc12
InChIInChI=1S/C18H19N7/c1-3-6-14-16(21-12-25-17(14)22-13(2)23-25)11-24-10-9-20-18(24)15-7-4-5-8-19-15/h4-5,7-10,12H,3,6,11H2,1-2H3
InChIKeyMAMNCFUENSXJOF-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.69
Rot. Bonds5

About 2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine

2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11302052) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11302052
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ccccn2)ncn2nc(C)nc12
InChIInChI=1S/C18H19N7/c1-3-6-14-16(21-12-25-17(14)22-13(2)23-25)11-24-10-9-20-18(24)15-7-4-5-8-19-15/h4-5,7-10,12H,3,6,11H2,1-2H3
InChIKeyMAMNCFUENSXJOF-UHFFFAOYSA-N
XLogP2.69
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11302052) is 2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2ccccn2)ncn2nc(C)nc12.
What is the InChIKey of 2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is MAMNCFUENSXJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-3-6-14-16(21-12-25-17(14)22-13(2)23-25)11-24-10-9-20-18(24)15-7-4-5-8-19-15/h4-5,7-10,12H,3,6,11H2,1-2H3.
What are the key properties of 2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 333.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11302052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).