[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

C13H16N6O2 — CID 110112869

IUPAC[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCNc1nccnc1C1CN(C(=O)c2ccn[nH]2)CCO1
InChIInChI=1S/C13H16N6O2/c1-14-12-11(15-4-5-16-12)10-8-19(6-7-21-10)13(20)9-2-3-17-18-9/h2-5,10H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyRHNDCBBASQTLPZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.46
Rot. Bonds3

About [2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 110112869) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is [2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID110112869
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCNc1nccnc1C1CN(C(=O)c2ccn[nH]2)CCO1
InChIInChI=1S/C13H16N6O2/c1-14-12-11(15-4-5-16-12)10-8-19(6-7-21-10)13(20)9-2-3-17-18-9/h2-5,10H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyRHNDCBBASQTLPZ-UHFFFAOYSA-N
XLogP0.46
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone (CID 110112869) is [2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone is CNc1nccnc1C1CN(C(=O)c2ccn[nH]2)CCO1.
What is the InChIKey of [2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is RHNDCBBASQTLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-14-12-11(15-4-5-16-12)10-8-19(6-7-21-10)13(20)9-2-3-17-18-9/h2-5,10H,6-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of [2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 288.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110112869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).