N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine

C17H24N6O — CID 97028605

IUPACN-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
SMILESCCN(C[C@H]1CN(Cc2cnc(C)cn2)CCO1)c1cccnn1
InChIInChI=1S/C17H24N6O/c1-3-23(17-5-4-6-20-21-17)13-16-12-22(7-8-24-16)11-15-10-18-14(2)9-19-15/h4-6,9-10,16H,3,7-8,11-13H2,1-2H3/t16-/m1/s1
InChIKeyVXKVVODLJFZIMD-MRXNPFEDSA-N
MW328.42 g/mol
LogP1.30
Rot. Bonds6

About N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine

N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine (PubChem CID 97028605) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
PubChem CID97028605
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
SMILESCCN(C[C@H]1CN(Cc2cnc(C)cn2)CCO1)c1cccnn1
InChIInChI=1S/C17H24N6O/c1-3-23(17-5-4-6-20-21-17)13-16-12-22(7-8-24-16)11-15-10-18-14(2)9-19-15/h4-6,9-10,16H,3,7-8,11-13H2,1-2H3/t16-/m1/s1
InChIKeyVXKVVODLJFZIMD-MRXNPFEDSA-N
XLogP1.30
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine (CID 97028605) is N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine is CCN(C[C@H]1CN(Cc2cnc(C)cn2)CCO1)c1cccnn1.
What is the InChIKey of N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine?
The InChIKey is VXKVVODLJFZIMD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-23(17-5-4-6-20-21-17)13-16-12-22(7-8-24-16)11-15-10-18-14(2)9-19-15/h4-6,9-10,16H,3,7-8,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine?
N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine has a molecular weight of 328.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 97028605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).