N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine

C14H15N5 — CID 102806058

IUPACN-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine
SMILESCc1nn(C)cc1Nc1nc2ccccc2nc1C
InChIInChI=1S/C14H15N5/c1-9-13(8-19(3)18-9)17-14-10(2)15-11-6-4-5-7-12(11)16-14/h4-8H,1-3H3,(H,16,17)
InChIKeyORUDZNKYJISASU-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.72
Rot. Bonds2

About N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine

N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine (PubChem CID 102806058) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine
PubChem CID102806058
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine
SMILESCc1nn(C)cc1Nc1nc2ccccc2nc1C
InChIInChI=1S/C14H15N5/c1-9-13(8-19(3)18-9)17-14-10(2)15-11-6-4-5-7-12(11)16-14/h4-8H,1-3H3,(H,16,17)
InChIKeyORUDZNKYJISASU-UHFFFAOYSA-N
XLogP2.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine (CID 102806058) is N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine is Cc1nn(C)cc1Nc1nc2ccccc2nc1C.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine?
The InChIKey is ORUDZNKYJISASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-13(8-19(3)18-9)17-14-10(2)15-11-6-4-5-7-12(11)16-14/h4-8H,1-3H3,(H,16,17).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine?
N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine has a molecular weight of 253.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-3-methylquinoxalin-2-amine is sourced from PubChem (CID 102806058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).