(3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol

C12H19N3O — CID 72858981

IUPAC(3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol
SMILESCc1nccnc1N1CC(C)(C)[C@@](C)(O)C1
InChIInChI=1S/C12H19N3O/c1-9-10(14-6-5-13-9)15-7-11(2,3)12(4,16)8-15/h5-6,16H,7-8H2,1-4H3/t12-/m0/s1
InChIKeyLMFKVMFUMJQSEE-LBPRGKRZSA-N
MW221.30 g/mol
LogP1.38
Rot. Bonds1

About (3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol

(3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol (PubChem CID 72858981) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol
PubChem CID72858981
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol
SMILESCc1nccnc1N1CC(C)(C)[C@@](C)(O)C1
InChIInChI=1S/C12H19N3O/c1-9-10(14-6-5-13-9)15-7-11(2,3)12(4,16)8-15/h5-6,16H,7-8H2,1-4H3/t12-/m0/s1
InChIKeyLMFKVMFUMJQSEE-LBPRGKRZSA-N
XLogP1.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol (CID 72858981) is (3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol is Cc1nccnc1N1CC(C)(C)[C@@](C)(O)C1.
What is the InChIKey of (3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol?
The InChIKey is LMFKVMFUMJQSEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-10(14-6-5-13-9)15-7-11(2,3)12(4,16)8-15/h5-6,16H,7-8H2,1-4H3/t12-/m0/s1.
What are the key properties of (3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol?
(3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4,4-trimethyl-1-(3-methylpyrazin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 72858981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).