N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide

C19H17N7O — CID 138525715

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3nccnc3c2)n1
InChIInChI=1S/C19H17N7O/c1-12(2)26-11-22-25-18(26)15-4-3-5-17(23-15)24-19(27)13-6-7-14-16(10-13)21-9-8-20-14/h3-12H,1-2H3,(H,23,24,27)
InChIKeyFLTXFRITYKDYFT-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.12
Rot. Bonds4

About N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide (PubChem CID 138525715) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide
PubChem CID138525715
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3nccnc3c2)n1
InChIInChI=1S/C19H17N7O/c1-12(2)26-11-22-25-18(26)15-4-3-5-17(23-15)24-19(27)13-6-7-14-16(10-13)21-9-8-20-14/h3-12H,1-2H3,(H,23,24,27)
InChIKeyFLTXFRITYKDYFT-UHFFFAOYSA-N
XLogP3.12
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide (CID 138525715) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3nccnc3c2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide?
The InChIKey is FLTXFRITYKDYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-12(2)26-11-22-25-18(26)15-4-3-5-17(23-15)24-19(27)13-6-7-14-16(10-13)21-9-8-20-14/h3-12H,1-2H3,(H,23,24,27).
What are the key properties of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 138525715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).