2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride

C10H16ClN3O2 — CID 71642986

IUPAC2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
SMILESCOc1nccnc1CO[C@@H]1CCNC1.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-14-10-9(12-4-5-13-10)7-15-8-2-3-11-6-8;/h4-5,8,11H,2-3,6-7H2,1H3;1H/t8-;/m1./s1
InChIKeyDHXRVJMQIDVHKH-DDWIOCJRSA-N
MW245.71 g/mol
LogP0.79
Rot. Bonds4

About 2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride

2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride (PubChem CID 71642986) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
PubChem CID71642986
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
SMILESCOc1nccnc1CO[C@@H]1CCNC1.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-14-10-9(12-4-5-13-10)7-15-8-2-3-11-6-8;/h4-5,8,11H,2-3,6-7H2,1H3;1H/t8-;/m1./s1
InChIKeyDHXRVJMQIDVHKH-DDWIOCJRSA-N
XLogP0.79
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride?
The IUPAC name of 2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride (CID 71642986) is 2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride.
What is the SMILES notation for 2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride?
The canonical SMILES for 2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride is COc1nccnc1CO[C@@H]1CCNC1.Cl.
What is the InChIKey of 2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride?
The InChIKey is DHXRVJMQIDVHKH-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H15N3O2.ClH/c1-14-10-9(12-4-5-13-10)7-15-8-2-3-11-6-8;/h4-5,8,11H,2-3,6-7H2,1H3;1H/t8-;/m1./s1.
What are the key properties of 2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride?
2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride is sourced from PubChem (CID 71642986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).