3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine

C10H13N3 — CID 88985554

IUPAC3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine
SMILESNC1=CN=C(C2=CCCC=C2)CN1
InChIInChI=1S/C10H13N3/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h2,4-5,7,13H,1,3,6,11H2
InChIKeyYILKHWNMOVIMFR-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.06
Rot. Bonds1

About 3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine

3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine (PubChem CID 88985554) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine
PubChem CID88985554
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine
SMILESNC1=CN=C(C2=CCCC=C2)CN1
InChIInChI=1S/C10H13N3/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h2,4-5,7,13H,1,3,6,11H2
InChIKeyYILKHWNMOVIMFR-UHFFFAOYSA-N
XLogP1.06
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine (CID 88985554) is 3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine is NC1=CN=C(C2=CCCC=C2)CN1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine?
The InChIKey is YILKHWNMOVIMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h2,4-5,7,13H,1,3,6,11H2.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine?
3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine has a molecular weight of 175.24 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-1,2-dihydropyrazin-6-amine is sourced from PubChem (CID 88985554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).