2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine

C13H19N5 — CID 114080516

IUPAC2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nccnc1-c1[nH]ncc1CNC(C)(C)C
InChIInChI=1S/C13H19N5/c1-9-11(15-6-5-14-9)12-10(8-17-18-12)7-16-13(2,3)4/h5-6,8,16H,7H2,1-4H3,(H,17,18)
InChIKeyOAEMAPRFOZYXIQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.06
Rot. Bonds3

About 2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 114080516) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
PubChem CID114080516
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nccnc1-c1[nH]ncc1CNC(C)(C)C
InChIInChI=1S/C13H19N5/c1-9-11(15-6-5-14-9)12-10(8-17-18-12)7-16-13(2,3)4/h5-6,8,16H,7H2,1-4H3,(H,17,18)
InChIKeyOAEMAPRFOZYXIQ-UHFFFAOYSA-N
XLogP2.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine (CID 114080516) is 2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine is Cc1nccnc1-c1[nH]ncc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is OAEMAPRFOZYXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-11(15-6-5-14-9)12-10(8-17-18-12)7-16-13(2,3)4/h5-6,8,16H,7H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(3-methylpyrazin-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114080516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).