acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile

C17H19N5 — CID 145091106

IUPACacetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
SMILESC#C.CN1CCN(C)c2cc(-c3cnn(C)c3)c(C#N)cc21
InChIInChI=1S/C15H17N5.C2H2/c1-18-4-5-19(2)15-7-13(11(8-16)6-14(15)18)12-9-17-20(3)10-12;1-2/h6-7,9-10H,4-5H2,1-3H3;1-2H
InChIKeyOZAZVRCQEGPRBN-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.09
Rot. Bonds1

About acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile

acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile (PubChem CID 145091106) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile.

Molecular Properties

Compound Nameacetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
PubChem CID145091106
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Nameacetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
SMILESC#C.CN1CCN(C)c2cc(-c3cnn(C)c3)c(C#N)cc21
InChIInChI=1S/C15H17N5.C2H2/c1-18-4-5-19(2)15-7-13(11(8-16)6-14(15)18)12-9-17-20(3)10-12;1-2/h6-7,9-10H,4-5H2,1-3H3;1-2H
InChIKeyOZAZVRCQEGPRBN-UHFFFAOYSA-N
XLogP2.09
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

acetylene;1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;octane
CID 145091183
4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 162753645
(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
CID 121382772
4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile
CID 121383010
5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385729
acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091659
4-[1,3-dimethyl-2-oxo-7-(2-piperidin-4-ylethoxy)quinolin-5-yl]-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 176986611
4-[1-acetyl-4-(oxan-4-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 139398242
4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile
CID 155404865
6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385606
2-fluoro-5-(1-methylpyrazol-4-yl)benzonitrile
CID 58540875
2-methyl-5-(1-methylpyrazol-4-yl)-3-(tetrazol-2-yl)benzonitrile
CID 90033319

Frequently Asked Questions

What is the IUPAC name of acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
The IUPAC name of acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile (CID 145091106) is acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile.
What is the SMILES notation for acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
The canonical SMILES for acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile is C#C.CN1CCN(C)c2cc(-c3cnn(C)c3)c(C#N)cc21.
What is the InChIKey of acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
The InChIKey is OZAZVRCQEGPRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5.C2H2/c1-18-4-5-19(2)15-7-13(11(8-16)6-14(15)18)12-9-17-20(3)10-12;1-2/h6-7,9-10H,4-5H2,1-3H3;1-2H.
What are the key properties of acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile is sourced from PubChem (CID 145091106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).