8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine

C19H16N4O2 — CID 91118498

IUPAC8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
SMILESCc1nnc2c3ccc(-c4ccc(C5OCCO5)cc4)nc3ccn12
InChIInChI=1S/C19H16N4O2/c1-12-21-22-18-15-6-7-16(20-17(15)8-9-23(12)18)13-2-4-14(5-3-13)19-24-10-11-25-19/h2-9,19H,10-11H2,1H3
InChIKeyBTPSMIWGCCZYJU-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.30
Rot. Bonds2

About 8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine

8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine (PubChem CID 91118498) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine.

Molecular Properties

Compound Name8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
PubChem CID91118498
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
SMILESCc1nnc2c3ccc(-c4ccc(C5OCCO5)cc4)nc3ccn12
InChIInChI=1S/C19H16N4O2/c1-12-21-22-18-15-6-7-16(20-17(15)8-9-23(12)18)13-2-4-14(5-3-13)19-24-10-11-25-19/h2-9,19H,10-11H2,1H3
InChIKeyBTPSMIWGCCZYJU-UHFFFAOYSA-N
XLogP3.30
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine?
The IUPAC name of 8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine (CID 91118498) is 8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine.
What is the SMILES notation for 8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine?
The canonical SMILES for 8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine is Cc1nnc2c3ccc(-c4ccc(C5OCCO5)cc4)nc3ccn12.
What is the InChIKey of 8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine?
The InChIKey is BTPSMIWGCCZYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-21-22-18-15-6-7-16(20-17(15)8-9-23(12)18)13-2-4-14(5-3-13)19-24-10-11-25-19/h2-9,19H,10-11H2,1H3.
What are the key properties of 8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine?
8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine has a molecular weight of 332.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1,3-dioxolan-2-yl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine is sourced from PubChem (CID 91118498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).