2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol

C7H10ClN3O — CID 112709553

IUPAC2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol
SMILESCC(N)C(O)c1cnc(Cl)cn1
InChIInChI=1S/C7H10ClN3O/c1-4(9)7(12)5-2-11-6(8)3-10-5/h2-4,7,12H,9H2,1H3
InChIKeyUNHBMTFIFGEDOA-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.51
Rot. Bonds2

About 2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol

2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol (PubChem CID 112709553) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol
PubChem CID112709553
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol
SMILESCC(N)C(O)c1cnc(Cl)cn1
InChIInChI=1S/C7H10ClN3O/c1-4(9)7(12)5-2-11-6(8)3-10-5/h2-4,7,12H,9H2,1H3
InChIKeyUNHBMTFIFGEDOA-UHFFFAOYSA-N
XLogP0.51
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 84671273
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(1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol
CID 131124378
3-(5-chloropyrazin-2-yl)butanoic acid
CID 83831777
2-amino-1-(5-chloro-1,3-thiazol-2-yl)propan-1-ol
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2-amino-1-pyrido[3,4-b]pyrazin-3-ylpropan-1-ol
CID 84672357
2-amino-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130598579
(1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol
CID 131010797
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523
(1R,2R)-2-amino-1-pyrimidin-2-ylpropan-1-ol
CID 130900174
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CID 130985791
2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine
CID 171801522

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol (CID 112709553) is 2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol is CC(N)C(O)c1cnc(Cl)cn1.
What is the InChIKey of 2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol?
The InChIKey is UNHBMTFIFGEDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-4(9)7(12)5-2-11-6(8)3-10-5/h2-4,7,12H,9H2,1H3.
What are the key properties of 2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol?
2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol has a molecular weight of 187.63 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol is sourced from PubChem (CID 112709553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).