3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine

C16H19N5 — CID 79033643

IUPAC3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCc1c(C)nn(C)c1C
InChIInChI=1S/C16H19N5/c1-10-13(12(3)21(4)20-10)9-17-16-11(2)18-14-7-5-6-8-15(14)19-16/h5-8H,9H2,1-4H3,(H,17,19)
InChIKeyFTBPTGNINCSCFQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.90
Rot. Bonds3

About 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine

3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine (PubChem CID 79033643) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
PubChem CID79033643
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCc1c(C)nn(C)c1C
InChIInChI=1S/C16H19N5/c1-10-13(12(3)21(4)20-10)9-17-16-11(2)18-14-7-5-6-8-15(14)19-16/h5-8H,9H2,1-4H3,(H,17,19)
InChIKeyFTBPTGNINCSCFQ-UHFFFAOYSA-N
XLogP2.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one
CID 137264486
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylquinoxalin-2-amine
CID 133306015
2,5-dichloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 79633437
N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine
CID 106900035
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328827
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 78995441
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 79042080
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 79242424
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 126842216
N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62049687
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine
CID 62636139

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine (CID 79033643) is 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine is Cc1nc2ccccc2nc1NCc1c(C)nn(C)c1C.
What is the InChIKey of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine?
The InChIKey is FTBPTGNINCSCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-10-13(12(3)21(4)20-10)9-17-16-11(2)18-14-7-5-6-8-15(14)19-16/h5-8H,9H2,1-4H3,(H,17,19).
What are the key properties of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine?
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine is sourced from PubChem (CID 79033643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).