3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine

C9H10N6 — CID 63260133

IUPAC3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1nncn1C1CC1
InChIInChI=1S/C9H10N6/c10-8-7(11-3-4-12-8)9-14-13-5-15(9)6-1-2-6/h3-6H,1-2H2,(H2,10,12)
InChIKeyNCTKGBJROLZOGN-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.65
Rot. Bonds2

About 3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine

3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine (PubChem CID 63260133) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine
PubChem CID63260133
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1nncn1C1CC1
InChIInChI=1S/C9H10N6/c10-8-7(11-3-4-12-8)9-14-13-5-15(9)6-1-2-6/h3-6H,1-2H2,(H2,10,12)
InChIKeyNCTKGBJROLZOGN-UHFFFAOYSA-N
XLogP0.65
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine?
The IUPAC name of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine (CID 63260133) is 3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine is Nc1nccnc1-c1nncn1C1CC1.
What is the InChIKey of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine?
The InChIKey is NCTKGBJROLZOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c10-8-7(11-3-4-12-8)9-14-13-5-15(9)6-1-2-6/h3-6H,1-2H2,(H2,10,12).
What are the key properties of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine?
3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine has a molecular weight of 202.22 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 63260133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).