2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol

C11H13N3O2 — CID 133323796

IUPAC2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol
SMILESCC(O)(CNc1cnccn1)c1ccco1
InChIInChI=1S/C11H13N3O2/c1-11(15,9-3-2-6-16-9)8-14-10-7-12-4-5-13-10/h2-7,15H,8H2,1H3,(H,13,14)
InChIKeyMQZZFMHVOHOTOX-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.39
Rot. Bonds4

About 2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol

2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol (PubChem CID 133323796) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol
PubChem CID133323796
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol
SMILESCC(O)(CNc1cnccn1)c1ccco1
InChIInChI=1S/C11H13N3O2/c1-11(15,9-3-2-6-16-9)8-14-10-7-12-4-5-13-10/h2-7,15H,8H2,1H3,(H,13,14)
InChIKeyMQZZFMHVOHOTOX-UHFFFAOYSA-N
XLogP1.39
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol?
The IUPAC name of 2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol (CID 133323796) is 2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol?
The canonical SMILES for 2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol is CC(O)(CNc1cnccn1)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol?
The InChIKey is MQZZFMHVOHOTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(15,9-3-2-6-16-9)8-14-10-7-12-4-5-13-10/h2-7,15H,8H2,1H3,(H,13,14).
What are the key properties of 2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol?
2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol has a molecular weight of 219.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol is sourced from PubChem (CID 133323796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).