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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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).