2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine

C18H16N8 — CID 57414515

IUPAC2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESCc1cc(C)n2nc(CCc3nc4c5cccnc5ccn4n3)nc2n1
InChIInChI=1S/C18H16N8/c1-11-10-12(2)26-18(20-11)22-16(24-26)6-5-15-21-17-13-4-3-8-19-14(13)7-9-25(17)23-15/h3-4,7-10H,5-6H2,1-2H3
InChIKeyAUGPIINVULZKIS-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.12
Rot. Bonds3

About 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine

2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (PubChem CID 57414515) has the molecular formula C18H16N8 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
PubChem CID57414515
Molecular FormulaC18H16N8
Molecular Weight344.38 g/mol
Exact Mass344.15
IUPAC Name2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESCc1cc(C)n2nc(CCc3nc4c5cccnc5ccn4n3)nc2n1
InChIInChI=1S/C18H16N8/c1-11-10-12(2)26-18(20-11)22-16(24-26)6-5-15-21-17-13-4-3-8-19-14(13)7-9-25(17)23-15/h3-4,7-10H,5-6H2,1-2H3
InChIKeyAUGPIINVULZKIS-UHFFFAOYSA-N
XLogP2.12
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The IUPAC name of 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (CID 57414515) is 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.
What is the SMILES notation for 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The canonical SMILES for 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is Cc1cc(C)n2nc(CCc3nc4c5cccnc5ccn4n3)nc2n1.
What is the InChIKey of 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The InChIKey is AUGPIINVULZKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8/c1-11-10-12(2)26-18(20-11)22-16(24-26)6-5-15-21-17-13-4-3-8-19-14(13)7-9-25(17)23-15/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine has a molecular weight of 344.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is sourced from PubChem (CID 57414515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).