6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine

C10H14ClN3O2 — CID 104705608

IUPAC6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine
SMILESCOC1(CNc2cncc(Cl)n2)CCOC1
InChIInChI=1S/C10H14ClN3O2/c1-15-10(2-3-16-7-10)6-13-9-5-12-4-8(11)14-9/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyDNZWJUPOAZHGOD-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.35
Rot. Bonds4

About 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine

6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine (PubChem CID 104705608) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine
PubChem CID104705608
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine
SMILESCOC1(CNc2cncc(Cl)n2)CCOC1
InChIInChI=1S/C10H14ClN3O2/c1-15-10(2-3-16-7-10)6-13-9-5-12-4-8(11)14-9/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyDNZWJUPOAZHGOD-UHFFFAOYSA-N
XLogP1.35
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine (CID 104705608) is 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine is COC1(CNc2cncc(Cl)n2)CCOC1.
What is the InChIKey of 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine?
The InChIKey is DNZWJUPOAZHGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-15-10(2-3-16-7-10)6-13-9-5-12-4-8(11)14-9/h4-5H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine?
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine has a molecular weight of 243.69 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 104705608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).