(6-chloropyrazin-2-yl)-(ethylamino)methanol

C7H10ClN3O — CID 129059860

IUPAC(6-chloropyrazin-2-yl)-(ethylamino)methanol
SMILESCCNC(O)c1cncc(Cl)n1
InChIInChI=1S/C7H10ClN3O/c1-2-10-7(12)5-3-9-4-6(8)11-5/h3-4,7,10,12H,2H2,1H3
InChIKeyBWCQWYOSLKEQNY-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.73
Rot. Bonds3

About (6-chloropyrazin-2-yl)-(ethylamino)methanol

(6-chloropyrazin-2-yl)-(ethylamino)methanol (PubChem CID 129059860) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-(ethylamino)methanol.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-(ethylamino)methanol
PubChem CID129059860
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name(6-chloropyrazin-2-yl)-(ethylamino)methanol
SMILESCCNC(O)c1cncc(Cl)n1
InChIInChI=1S/C7H10ClN3O/c1-2-10-7(12)5-3-9-4-6(8)11-5/h3-4,7,10,12H,2H2,1H3
InChIKeyBWCQWYOSLKEQNY-UHFFFAOYSA-N
XLogP0.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-hexan-2-ylpyrazine
CID 174338871
3-(6-chloropyrazin-2-yl)-2,3-dihydroxypropanoic acid
CID 76696734
2-(2,3-dichlorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 107308453
N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide
CID 106550859
1-(6-chloropyrazin-2-yl)ethyl formate
CID 174546830
N-(6-chloropyrazin-2-yl)butanamide
CID 115599315
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-chloro-N-(2-methylpentan-3-yl)pyrazin-2-amine
CID 61488509
2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol
CID 133403852
3-(6-chloropyrazin-2-yl)-2-methylpent-2-enoic acid
CID 173075013
6-chloro-N-ethoxypyrazine-2-carboxamide
CID 103186905
6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine
CID 133323999

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-(ethylamino)methanol?
The IUPAC name of (6-chloropyrazin-2-yl)-(ethylamino)methanol (CID 129059860) is (6-chloropyrazin-2-yl)-(ethylamino)methanol.
What is the SMILES notation for (6-chloropyrazin-2-yl)-(ethylamino)methanol?
The canonical SMILES for (6-chloropyrazin-2-yl)-(ethylamino)methanol is CCNC(O)c1cncc(Cl)n1.
What is the InChIKey of (6-chloropyrazin-2-yl)-(ethylamino)methanol?
The InChIKey is BWCQWYOSLKEQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-2-10-7(12)5-3-9-4-6(8)11-5/h3-4,7,10,12H,2H2,1H3.
What are the key properties of (6-chloropyrazin-2-yl)-(ethylamino)methanol?
(6-chloropyrazin-2-yl)-(ethylamino)methanol has a molecular weight of 187.63 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazin-2-yl)-(ethylamino)methanol is sourced from PubChem (CID 129059860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).