1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one

C14H20N6O2 — CID 129331494

IUPAC1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one
SMILESCn1ccnc(NC[C@H]2CN(Cc3ccn[nH]3)CCO2)c1=O
InChIInChI=1S/C14H20N6O2/c1-19-5-4-15-13(14(19)21)16-8-12-10-20(6-7-22-12)9-11-2-3-17-18-11/h2-5,12H,6-10H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1
InChIKeyCDXDRSVXLORVJB-LBPRGKRZSA-N
MW304.35 g/mol
LogP-0.18
Rot. Bonds5

About 1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one

1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one (PubChem CID 129331494) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one
PubChem CID129331494
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one
SMILESCn1ccnc(NC[C@H]2CN(Cc3ccn[nH]3)CCO2)c1=O
InChIInChI=1S/C14H20N6O2/c1-19-5-4-15-13(14(19)21)16-8-12-10-20(6-7-22-12)9-11-2-3-17-18-11/h2-5,12H,6-10H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1
InChIKeyCDXDRSVXLORVJB-LBPRGKRZSA-N
XLogP-0.18
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one (CID 129331494) is 1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one is Cn1ccnc(NC[C@H]2CN(Cc3ccn[nH]3)CCO2)c1=O.
What is the InChIKey of 1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The InChIKey is CDXDRSVXLORVJB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-19-5-4-15-13(14(19)21)16-8-12-10-20(6-7-22-12)9-11-2-3-17-18-11/h2-5,12H,6-10H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1.
What are the key properties of 1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one?
1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one has a molecular weight of 304.35 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(2S)-4-(1H-pyrazol-5-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one is sourced from PubChem (CID 129331494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).