[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol

C12H15N3O2 — CID 107372750

IUPAC[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol
SMILESCc1occc1CN(C)c1cnc(CO)cn1
InChIInChI=1S/C12H15N3O2/c1-9-10(3-4-17-9)7-15(2)12-6-13-11(8-16)5-14-12/h3-6,16H,7-8H2,1-2H3
InChIKeyPXASNGGQAPQPPZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.51
Rot. Bonds4

About [5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol

[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol (PubChem CID 107372750) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol
PubChem CID107372750
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol
SMILESCc1occc1CN(C)c1cnc(CO)cn1
InChIInChI=1S/C12H15N3O2/c1-9-10(3-4-17-9)7-15(2)12-6-13-11(8-16)5-14-12/h3-6,16H,7-8H2,1-2H3
InChIKeyPXASNGGQAPQPPZ-UHFFFAOYSA-N
XLogP1.51
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol?
The IUPAC name of [5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol (CID 107372750) is [5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol is Cc1occc1CN(C)c1cnc(CO)cn1.
What is the InChIKey of [5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol?
The InChIKey is PXASNGGQAPQPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-10(3-4-17-9)7-15(2)12-6-13-11(8-16)5-14-12/h3-6,16H,7-8H2,1-2H3.
What are the key properties of [5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol?
[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol has a molecular weight of 233.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol is sourced from PubChem (CID 107372750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).