3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

C16H12N6O2 — CID 88967742

IUPAC3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3nc(N=O)n[nH]3)cc12
InChIInChI=1S/C16H12N6O2/c1-24-13-5-3-2-4-10(13)12-8-18-15-11(12)6-9(7-17-15)14-19-16(22-23)21-20-14/h2-8H,1H3,(H,17,18)(H,19,20,21)
InChIKeyACUPKBUXFXZNRG-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.42
Rot. Bonds4

About 3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 88967742) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID88967742
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3nc(N=O)n[nH]3)cc12
InChIInChI=1S/C16H12N6O2/c1-24-13-5-3-2-4-10(13)12-8-18-15-11(12)6-9(7-17-15)14-19-16(22-23)21-20-14/h2-8H,1H3,(H,17,18)(H,19,20,21)
InChIKeyACUPKBUXFXZNRG-UHFFFAOYSA-N
XLogP3.42
TPSA108.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59699759
4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
CID 11515215
5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59699789
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
CID 25166699
N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;silver
CID 131739517
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 16750094
N-iodo-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophene-2-sulfonamide
CID 143540303
1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine
CID 123855828
1-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-1-ium-3-carboxamide
CID 59699717
3-fluoro-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700043
1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-3-methylbutan-1-ol
CID 25155636
2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700190

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 88967742) is 3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1-c1c[nH]c2ncc(-c3nc(N=O)n[nH]3)cc12.
What is the InChIKey of 3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ACUPKBUXFXZNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c1-24-13-5-3-2-4-10(13)12-8-18-15-11(12)6-9(7-17-15)14-19-16(22-23)21-20-14/h2-8H,1H3,(H,17,18)(H,19,20,21).
What are the key properties of 3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 320.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 88967742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).