5-(cyclopropylmethoxymethyl)pyrazin-2-amine

C9H13N3O — CID 103058587

IUPAC5-(cyclopropylmethoxymethyl)pyrazin-2-amine
SMILESNc1cnc(COCC2CC2)cn1
InChIInChI=1S/C9H13N3O/c10-9-4-11-8(3-12-9)6-13-5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H2,10,12)
InChIKeyPJUXVZKAVGUWSZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.99
Rot. Bonds4

About 5-(cyclopropylmethoxymethyl)pyrazin-2-amine

5-(cyclopropylmethoxymethyl)pyrazin-2-amine (PubChem CID 103058587) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(cyclopropylmethoxymethyl)pyrazin-2-amine
PubChem CID103058587
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-(cyclopropylmethoxymethyl)pyrazin-2-amine
SMILESNc1cnc(COCC2CC2)cn1
InChIInChI=1S/C9H13N3O/c10-9-4-11-8(3-12-9)6-13-5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H2,10,12)
InChIKeyPJUXVZKAVGUWSZ-UHFFFAOYSA-N
XLogP0.99
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxymethyl)pyrazin-2-amine?
The IUPAC name of 5-(cyclopropylmethoxymethyl)pyrazin-2-amine (CID 103058587) is 5-(cyclopropylmethoxymethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(cyclopropylmethoxymethyl)pyrazin-2-amine?
The canonical SMILES for 5-(cyclopropylmethoxymethyl)pyrazin-2-amine is Nc1cnc(COCC2CC2)cn1.
What is the InChIKey of 5-(cyclopropylmethoxymethyl)pyrazin-2-amine?
The InChIKey is PJUXVZKAVGUWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9-4-11-8(3-12-9)6-13-5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H2,10,12).
What are the key properties of 5-(cyclopropylmethoxymethyl)pyrazin-2-amine?
5-(cyclopropylmethoxymethyl)pyrazin-2-amine has a molecular weight of 179.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxymethyl)pyrazin-2-amine is sourced from PubChem (CID 103058587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).