5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol

C18H22BrN3O — CID 142247235

IUPAC5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol
SMILESCCc1nc(N)c(C2CC2)nc1Br.OC1Cc2ccccc2C1
InChIInChI=1S/C9H12BrN3.C9H10O/c1-2-6-8(10)13-7(5-3-4-5)9(11)12-6;10-9-5-7-3-1-2-4-8(7)6-9/h5H,2-4H2,1H3,(H2,11,12);1-4,9-10H,5-6H2
InChIKeyUZOYTWAQFCJLSQ-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.41
Rot. Bonds2

About 5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol

5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol (PubChem CID 142247235) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol
PubChem CID142247235
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol
SMILESCCc1nc(N)c(C2CC2)nc1Br.OC1Cc2ccccc2C1
InChIInChI=1S/C9H12BrN3.C9H10O/c1-2-6-8(10)13-7(5-3-4-5)9(11)12-6;10-9-5-7-3-1-2-4-8(7)6-9/h5H,2-4H2,1H3,(H2,11,12);1-4,9-10H,5-6H2
InChIKeyUZOYTWAQFCJLSQ-UHFFFAOYSA-N
XLogP3.41
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol (CID 142247235) is 5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol is CCc1nc(N)c(C2CC2)nc1Br.OC1Cc2ccccc2C1.
What is the InChIKey of 5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol?
The InChIKey is UZOYTWAQFCJLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3.C9H10O/c1-2-6-8(10)13-7(5-3-4-5)9(11)12-6;10-9-5-7-3-1-2-4-8(7)6-9/h5H,2-4H2,1H3,(H2,11,12);1-4,9-10H,5-6H2.
What are the key properties of 5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol?
5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol has a molecular weight of 376.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 142247235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).