cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol

C9H12BrN3O — CID 118049822

IUPACcis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol
SMILESNc1ncc([C@@H]2CC[C@H](O)C2)nc1Br
InChIInChI=1S/C9H12BrN3O/c10-8-9(11)12-4-7(13-8)5-1-2-6(14)3-5/h4-6,14H,1-3H2,(H2,11,12)/t5-,6+/m1/s1
InChIKeyXICMTXHIKPEKFR-RITPCOANSA-N
MW258.12 g/mol
LogP1.45
Rot. Bonds1

About cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol

cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol (PubChem CID 118049822) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol
PubChem CID118049822
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Namecis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol
SMILESNc1ncc([C@@H]2CC[C@H](O)C2)nc1Br
InChIInChI=1S/C9H12BrN3O/c10-8-9(11)12-4-7(13-8)5-1-2-6(14)3-5/h4-6,14H,1-3H2,(H2,11,12)/t5-,6+/m1/s1
InChIKeyXICMTXHIKPEKFR-RITPCOANSA-N
XLogP1.45
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine
CID 118045322
[4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate
CID 174798422
3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine
CID 141342852
3,5-dibromopyrazin-2-amine;ethane
CID 143486522
5-(1-methylpiperidin-4-yl)pyrazine-2,3-diamine
CID 67362960
cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol
CID 162681549
[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl] 2-fluorobenzoate
CID 141444443
5-cycloheptyl-3-iodopyrazin-2-amine
CID 147044003
4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2S)-2-ethylcyclopropyl]-2-fluorobenzamide
CID 134503773
methyl 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluorobenzoate
CID 118046000
methyl 2-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-6-fluorobenzoate
CID 141444462
3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol
CID 164644976

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol?
The IUPAC name of cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol (CID 118049822) is cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol is Nc1ncc([C@@H]2CC[C@H](O)C2)nc1Br.
What is the InChIKey of cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol?
The InChIKey is XICMTXHIKPEKFR-RITPCOANSA-N. The full InChI is InChI=1S/C9H12BrN3O/c10-8-9(11)12-4-7(13-8)5-1-2-6(14)3-5/h4-6,14H,1-3H2,(H2,11,12)/t5-,6+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol?
cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol has a molecular weight of 258.12 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(5-amino-6-bromopyrazin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 118049822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).