9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine

C19H12N6 — CID 172698956

IUPAC9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
SMILESc1ccc(-c2cnc3ccn4c(-c5ncccn5)nnc4c3c2)cc1
InChIInChI=1S/C19H12N6/c1-2-5-13(6-3-1)14-11-15-16(22-12-14)7-10-25-18(15)23-24-19(25)17-20-8-4-9-21-17/h1-12H
InChIKeyCRYCLJMPVLRABL-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.40
Rot. Bonds2

About 9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine

9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine (PubChem CID 172698956) has the molecular formula C19H12N6 and a molecular weight of 324.35 g/mol. Its IUPAC name is 9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine.

Molecular Properties

Compound Name9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
PubChem CID172698956
Molecular FormulaC19H12N6
Molecular Weight324.35 g/mol
Exact Mass324.11
IUPAC Name9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
SMILESc1ccc(-c2cnc3ccn4c(-c5ncccn5)nnc4c3c2)cc1
InChIInChI=1S/C19H12N6/c1-2-5-13(6-3-1)14-11-15-16(22-12-14)7-10-25-18(15)23-24-19(25)17-20-8-4-9-21-17/h1-12H
InChIKeyCRYCLJMPVLRABL-UHFFFAOYSA-N
XLogP3.40
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
CID 141180044
[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
CID 59473066
1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 59473018
3-fluoro-1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
CID 44556030
1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine
CID 59473046
1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 24964269
5-chloro-3-phenylquinoline
CID 102190493
2-phenylpyrimidine
CID 593578
3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068529
3-phenylquinoline-5-carboxamide
CID 19033241
N-[3-cyano-3-hydroxy-1-[(3E,5E)-6-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)hepta-1,3,5-trien-3-yl]cyclobutyl]-2,2,2-trifluoroacetamide
CID 143906565
5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine
CID 90361753

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine?
The IUPAC name of 9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine (CID 172698956) is 9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine.
What is the SMILES notation for 9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine?
The canonical SMILES for 9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine is c1ccc(-c2cnc3ccn4c(-c5ncccn5)nnc4c3c2)cc1.
What is the InChIKey of 9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine?
The InChIKey is CRYCLJMPVLRABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6/c1-2-5-13(6-3-1)14-11-15-16(22-12-14)7-10-25-18(15)23-24-19(25)17-20-8-4-9-21-17/h1-12H.
What are the key properties of 9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine?
9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine has a molecular weight of 324.35 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine is sourced from PubChem (CID 172698956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).