2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine

C13H19N5O — CID 81341679

IUPAC2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine
SMILESCc1cc(Oc2cncc(CNCC(C)C)n2)n[nH]1
InChIInChI=1S/C13H19N5O/c1-9(2)5-14-6-11-7-15-8-13(16-11)19-12-4-10(3)17-18-12/h4,7-9,14H,5-6H2,1-3H3,(H,17,18)
InChIKeyKRCKXTSMAWJIDF-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.05
Rot. Bonds6

About 2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine

2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 81341679) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine
PubChem CID81341679
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine
SMILESCc1cc(Oc2cncc(CNCC(C)C)n2)n[nH]1
InChIInChI=1S/C13H19N5O/c1-9(2)5-14-6-11-7-15-8-13(16-11)19-12-4-10(3)17-18-12/h4,7-9,14H,5-6H2,1-3H3,(H,17,18)
InChIKeyKRCKXTSMAWJIDF-UHFFFAOYSA-N
XLogP2.05
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine (CID 81341679) is 2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine is Cc1cc(Oc2cncc(CNCC(C)C)n2)n[nH]1.
What is the InChIKey of 2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is KRCKXTSMAWJIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9(2)5-14-6-11-7-15-8-13(16-11)19-12-4-10(3)17-18-12/h4,7-9,14H,5-6H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 81341679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).