5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine

C15H15F2N7 — CID 122154124

IUPAC5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C2CCCN2c2cnc3cc(F)c(F)cc3n2)nc1N
InChIInChI=1S/C15H15F2N7/c1-23-15(18)21-14(22-23)12-3-2-4-24(12)13-7-19-10-5-8(16)9(17)6-11(10)20-13/h5-7,12H,2-4H2,1H3,(H2,18,21,22)
InChIKeyQIXAIOIOWQZLDN-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.96
Rot. Bonds2

About 5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine

5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 122154124) has the molecular formula C15H15F2N7 and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID122154124
Molecular FormulaC15H15F2N7
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C2CCCN2c2cnc3cc(F)c(F)cc3n2)nc1N
InChIInChI=1S/C15H15F2N7/c1-23-15(18)21-14(22-23)12-3-2-4-24(12)13-7-19-10-5-8(16)9(17)6-11(10)20-13/h5-7,12H,2-4H2,1H3,(H2,18,21,22)
InChIKeyQIXAIOIOWQZLDN-UHFFFAOYSA-N
XLogP1.96
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine (CID 122154124) is 5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine is Cn1nc(C2CCCN2c2cnc3cc(F)c(F)cc3n2)nc1N.
What is the InChIKey of 5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is QIXAIOIOWQZLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N7/c1-23-15(18)21-14(22-23)12-3-2-4-24(12)13-7-19-10-5-8(16)9(17)6-11(10)20-13/h5-7,12H,2-4H2,1H3,(H2,18,21,22).
What are the key properties of 5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine?
5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 331.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 122154124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).