4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile

C19H11N7 — CID 136575678

IUPAC4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3nc4c5ccccc5ncn4n3)[nH]n2)cc1
InChIInChI=1S/C19H11N7/c20-10-12-5-7-13(8-6-12)16-9-17(24-23-16)18-22-19-14-3-1-2-4-15(14)21-11-26(19)25-18/h1-9,11H,(H,23,24)
InChIKeyVQLKANZKRLEBDT-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.21
Rot. Bonds2

About 4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile

4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile (PubChem CID 136575678) has the molecular formula C19H11N7 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile
PubChem CID136575678
Molecular FormulaC19H11N7
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3nc4c5ccccc5ncn4n3)[nH]n2)cc1
InChIInChI=1S/C19H11N7/c20-10-12-5-7-13(8-6-12)16-9-17(24-23-16)18-22-19-14-3-1-2-4-15(14)21-11-26(19)25-18/h1-9,11H,(H,23,24)
InChIKeyVQLKANZKRLEBDT-UHFFFAOYSA-N
XLogP3.21
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile with MolForge

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Related Compounds

2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583151
2-(5-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889940
4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
CID 45354718
4-[2-[5-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448003
2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889891
2-(4-nitro-1H-pyrazol-5-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583179
2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 175738814
4-[2-[3-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]-1H-pyrazol-5-yl]pyrimidin-5-yl]benzonitrile
CID 138454650
2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 142915531
4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile
CID 12911598
4-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]quinoxalin-2-yl]phenyl]benzonitrile
CID 153355034
4-(3-phenyl-1H-1,2,4-triazol-5-yl)benzonitrile
CID 61352383

Frequently Asked Questions

What is the IUPAC name of 4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile?
The IUPAC name of 4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile (CID 136575678) is 4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile.
What is the SMILES notation for 4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile?
The canonical SMILES for 4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile is N#Cc1ccc(-c2cc(-c3nc4c5ccccc5ncn4n3)[nH]n2)cc1.
What is the InChIKey of 4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile?
The InChIKey is VQLKANZKRLEBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N7/c20-10-12-5-7-13(8-6-12)16-9-17(24-23-16)18-22-19-14-3-1-2-4-15(14)21-11-26(19)25-18/h1-9,11H,(H,23,24).
What are the key properties of 4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile?
4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile has a molecular weight of 337.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)-1H-pyrazol-3-yl]benzonitrile is sourced from PubChem (CID 136575678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).