2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine

C17H18N8 — CID 11221320

IUPAC2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccnn2)ncn2nc(C)nc12
InChIInChI=1S/C17H18N8/c1-3-5-13-15(19-11-25-16(13)21-12(2)23-25)10-24-9-8-18-17(24)14-6-4-7-20-22-14/h4,6-9,11H,3,5,10H2,1-2H3
InChIKeyOJGKSXCBHJNZDG-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.09
Rot. Bonds5

About 2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine

2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11221320) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11221320
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccnn2)ncn2nc(C)nc12
InChIInChI=1S/C17H18N8/c1-3-5-13-15(19-11-25-16(13)21-12(2)23-25)10-24-9-8-18-17(24)14-6-4-7-20-22-14/h4,6-9,11H,3,5,10H2,1-2H3
InChIKeyOJGKSXCBHJNZDG-UHFFFAOYSA-N
XLogP2.09
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11221320) is 2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2cccnn2)ncn2nc(C)nc12.
What is the InChIKey of 2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is OJGKSXCBHJNZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8/c1-3-5-13-15(19-11-25-16(13)21-12(2)23-25)10-24-9-8-18-17(24)14-6-4-7-20-22-14/h4,6-9,11H,3,5,10H2,1-2H3.
What are the key properties of 2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 334.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-propyl-7-[(2-pyridazin-3-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11221320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).